we Top Office Working to Arrange Meeting between Yoon and Trump By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 15:31:29 +0900 [Politics] : The presidential office says it is working to arrange a meeting between President Yoon Suk Yeol and U.S. President-elect Donald Trump. A senior official told reporters on Tuesday that the top office is in close communication with Trump’s team. This comes as the Yoon administration is preparing for the ...[more...] Full Article Politics
we Unusually Hot September to Ease This Weekend By world.kbs.co.kr Published On :: Wed, 18 Sep 2024 14:00:32 +0900 [Science] : Korea is experiencing an unusually hot September, with thermometers reaching up to 38 degrees Celsius in Gokseong, South Jeolla Province, and Jinju, South Gyeongsang Province, on Tuesday. Temperatures in most regions in the south and inland areas of the Chungcheong provinces, including Gwangju; Namwon, ...[more...] Full Article Science
we Overcast Skies, Showers Forecast through Tuesday By world.kbs.co.kr Published On :: Mon, 21 Oct 2024 14:02:01 +0900 [Science] : Overcast skies are forecast nationwide Monday, with showers expected in the south of the country and parts of the central region. According to the Korea Meteorological Administration, overcast conditions and rain are to continue Tuesday. The southernmost island of Jeju is expected to see about 120 ...[more...] Full Article Science
we Cold Weather Forecast for Tuesday By world.kbs.co.kr Published On :: Mon, 04 Nov 2024 17:36:47 +0900 [Science] : Tuesday is set to see cold weather as temperatures drop sharply with strong, cold winds blowing from Monday. The Korea Meteorological Administration forecast that morning lows will stand between two and eleven degrees Celsius on Tuesday, down seven to 13 degrees from Monday. Afternoon highs will be ...[more...] Full Article Science
we The Richest Woman in the World and 4 Wealthy Runners-up By money.howstuffworks.com Published On :: Mon, 24 Jun 2024 13:15:28 -0400 Although she is far from the richest person in the world — a title currently held by LMVH CEO Bernault Arnault — Françoise Bettencourt Meyers is still doing fine for herself. Full Article
we Are There Any Trillionaires? Not Yet, But We'll See One Soon By money.howstuffworks.com Published On :: Wed, 07 Aug 2024 10:10:02 -0400 A trillion dollars is a phenomenal sum of money, equivalent to 1,000 billion dollars. It's a figure so large it's almost unthinkable, yet we find ourselves wondering: Are there any trillionaires? According to Oxfam International, the world’s first trillionaire is predicted to emerge within the next decade. Full Article
we S. Korea, US, Japan to Hold Second Trilateral Freedom Edge Exercise This Week By world.kbs.co.kr Published On :: Wed, 13 Nov 2024 10:01:47 +0900 [International] : South Korea, the United States and Japan are set to hold their trilateral multidomain Freedom Edge exercise this week. According to South Korea’s Joint Chiefs of Staff(JCS), this year’s second Freedom Edge exercise runs Wednesday to Friday in international waters south of Jeju Island. The three ...[more...] Full Article International
we Here's Why Your Car Won't Start in Cold Weather By auto.howstuffworks.com Published On :: Wed, 20 Mar 2024 19:39:43 -0400 You hop inside your car to escape the brutal winter winds and fumble with your frigid keys, only to find that your car won't start when you turn the ignition. What's going on? It's probably one of three problems. Full Article
we How Horsepower Works By auto.howstuffworks.com Published On :: Thu, 23 May 2024 12:18:29 -0400 Horsepower rates the engine performance of cars and even lawn mowers. Learn what horsepower means, how it is measured and how it works in high-performance cars. Full Article
we Gov't Designates '2024 Hangeul Week' to Celebrate Creation of Korean Alphabet By world.kbs.co.kr Published On :: Mon, 30 Sep 2024 14:33:42 +0900 [Culture] : The government has designated the seven days from Friday to next Thursday as the "2024 Hangeul Week," on the occasion of the 578th Hangeul Day on October 9 to mark the creation of the Korean alphabet. According to the culture ministry on Monday, a number of cultural events that can help participants better ...[more...] Full Article Culture
we Busan Int'l Film Festival Set to Open Wednesday By world.kbs.co.kr Published On :: Wed, 02 Oct 2024 10:21:16 +0900 [Culture] : The Busan International Film Festival(BIFF) is set to start its ten-day run Wednesday. Asia’s largest film festival will kick off with a grand opening ceremony at 7 p.m. at Busan Cinema Center in the southern port city of Busan, featuring 224 films from 63 countries. The 29th BIFF will open with ...[more...] Full Article Culture
we 2024 Hanbok Culture Week to Begin Monday By world.kbs.co.kr Published On :: Thu, 10 Oct 2024 15:43:49 +0900 [Culture] : The culture ministry and the Korea Craft and Design Foundation are once again promoting Korea's traditional attire, or hanbok, with the seventh annual Hanbok Culture Week set to start Monday. Exhibits will be on display and fashion shows will take place in Seoul's Jongno District and other areas of the ...[more...] Full Article Culture
we What's the Difference Between Liquor and Liqueur? By recipes.howstuffworks.com Published On :: Tue, 20 Feb 2024 18:42:02 -0500 Liquor and liqueur are spelled so similarly, it's easy to confuse them for being the same. But they're not. So how are they different? Full Article
we 10 Sweetest Apples to Bake, Make Applesauce, or Eat Fresh By recipes.howstuffworks.com Published On :: Wed, 21 Aug 2024 10:15:02 -0400 Apples are nature's delicious and nutritious candy, with a staggering 7,500 varieties grown around the globe. Even the sweetest apples are healthy alternatives to sugary sweets — making them a great way to indulge your cravings without racking up the calories. Whether you're a fan of the crisp, refreshing crunch or more the type to bake the fruit into an apple pie, you really can't go wrong. Full Article
we 75 of the Hardest Riddles (With Answers) to Test Your Brain By lifestyle.howstuffworks.com Published On :: Wed, 18 Sep 2024 10:10:02 -0400 Challenge yourself with some of the hardest riddles we could find so you can keep your mind sharp! As you tackle these tricky brain teasers, you'll engage your mind in a way that few other activities can. Full Article
we 20 Group Costume Ideas for Halloween By lifestyle.howstuffworks.com Published On :: Mon, 07 Oct 2024 11:58:18 -0400 Halloween is around the corner, and it’s time to brainstorm the best group costume ideas for you and your friends. Whether you’re going to a Halloween party, trick-or-treating or entering a costume contest, the key to success is creativity, coordination and a dash of humor. Full Article
we 30 Halloween Costumes Ideas That Are DIY-Friendly By lifestyle.howstuffworks.com Published On :: Mon, 21 Oct 2024 10:20:02 -0400 We've all been there: Spooky season has arrived, and you don't have any costume ideas for Halloween. Whether you're a casual fan of the holiday who is looking for a good Halloween costume, or a long time devotee of All Hallow's Eve who wants to top last year's effort, we've got you covered with some great Halloween costume ideas. Full Article
we Is Your Shower Head Leaking? Try These Easy Fixes By home.howstuffworks.com Published On :: Mon, 22 Jan 2024 17:22:14 -0500 Shower head leaking? That's definitely annoying but not the end of the world. Shower heads are subject to several problems when it comes to leaks. Learn how to address a dripping shower head. Full Article
we Babymonster to kick off first global fan meet this week By world.kbs.co.kr Published On :: 2024-05-06 Rookie girl group Babymonster will embark on its first global fan meet tour this week. “Babymonster Presents: See You There” will begin in Tokyo on May 11. The tour will also travel to Jakarta,...[more...] Full Article
we Want to Write a Book? Take a Shower! By world.kbs.co.kr Published On :: 2024-10-16 +09:00 Join us on this week’s episode of Good Vibes Only as we sit down with the brilliant Anton Hur—renowned translator, novelist, and literary judge. Discover how he manages to publish as many...[more...] Full Article Economy&It
we When Fans Ask for a Photo and You're Not Wearing Makeup By world.kbs.co.kr Published On :: 2024-10-28 +09:00 Spook is in the air! [more...] Full Article Economy&It
we Google Easter Eggs: Sweet Treats Hidden in Plain Sight By computer.howstuffworks.com Published On :: Fri, 26 Jul 2024 10:10:02 -0400 Google is home to a ton of super fun hidden Easter eggs you can check out right from your browser. Go ahead, try a couple. You won't be disappointed. Full Article
we Zodiac Signs Elements: Discover the Power Behind Each Element By entertainment.howstuffworks.com Published On :: Wed, 13 Nov 2024 05:30:03 -0500 Discover the unique traits of each zodiac element—fire, earth, air, and water. Uncover how these elements shape personalities and compatibility in astrology. Full Article
we Won Weakens, Trading at more than 1,400 per Dollar By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 10:23:54 +0900 [Economy] : The South Korean won weakened past the psychological threshold of 14-hundred won against the U.S. dollar on Tuesday, after Donald Trump’s victory in the U.S. presidential election last week. The South Korean currency traded at 14-hundred-point-seven won per dollar as of 9:05 a.m. Tuesday, six won more ...[more...] Full Article Economy
we Won Weakens, Trading at More than 1,400 per Dollar By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 16:43:51 +0900 [Economy] : The South Korean won weakened past the psychological threshold of 14-hundred won against the U.S. dollar on Tuesday, after Donald Trump’s victory in the U.S. presidential election last week. The South Korean currency traded at 14-hundred-three-point-five won per dollar as of 3:30 p.m. Tuesday, ...[more...] Full Article Economy
we 83,000 Jobs Added in October, Slowest Growth in 4 Months By world.kbs.co.kr Published On :: Wed, 13 Nov 2024 08:29:45 +0900 [Economy] : The nation added 83-thousand jobs in October, with job growth falling below 100-thousand for the first time in four months. According to Statistics Korea on Wednesday, the number of employed people stood at 28-point-eight million last month, up 83-thousand from the same month last year. Job growth fell ...[more...] Full Article Economy
we KOSPI Plunges 2.64% on Wednesday By world.kbs.co.kr Published On :: Wed, 13 Nov 2024 15:45:45 +0900 [Economy] : The benchmark Korea Composite Stock Price Index tumbled 65-point-49 points, or two-point-64 percent, on Wednesday to close at two-thousand-417-point-08. The tech-heavy KOSDAQ sank 20-point-87 points, or two-point-94 percent, to close at 689-point-65.[more...] Full Article Economy
we How we use drones - British Geological Survey By news.google.com Published On :: Sat, 26 Aug 2023 13:32:14 GMT How we use drones British Geological Survey Full Article
we Why do we study fossils? - British Geological Survey By news.google.com Published On :: Thu, 24 Sep 2020 01:16:51 GMT Why do we study fossils? British Geological Survey Full Article
we Who we work with - British Geological Survey By news.google.com Published On :: Wed, 23 Sep 2020 16:43:20 GMT Who we work with British Geological Survey Full Article
we Washington DC among US cities most vulnerable to space weather, scientists say - The Royal Astronomical Society By news.google.com Published On :: Thu, 18 Jul 2024 07:00:00 GMT Washington DC among US cities most vulnerable to space weather, scientists say The Royal Astronomical Society Full Article
we Laboratory life: my work experience week at BGS - British Geological Survey By news.google.com Published On :: Tue, 20 Aug 2024 07:00:00 GMT Laboratory life: my work experience week at BGS British Geological Survey Full Article
we Online carbohydrate 3D structure validation with the Privateer web app By journals.iucr.org Published On :: 2024-01-24 Owing to the difficulties associated with working with carbohydrates, validating glycan 3D structures prior to deposition into the Protein Data Bank has become a staple of the structure-solution pipeline. The Privateer software provides integrative methods for the validation, analysis, refinement and graphical representation of 3D atomic structures of glycans, both as ligands and as protein modifiers. While Privateer is free software, it requires users to install any of the structural biology software suites that support it or to build it from source code. Here, the Privateer web app is presented, which is always up to date and available to be used online (https://privateer.york.ac.uk) without installation. This self-updating tool, which runs locally on the user's machine, will allow structural biologists to simply and quickly analyse carbohydrate ligands and protein glycosylation from a web browser whilst retaining all confidential information on their devices. Full Article text
we Symmetry groups of the Batak basketweave patterns By journals.iucr.org Published On :: The symmetry groups of the weave patterns of the baskets, trays and mats of the Batak, an indigenous community in the Philippines, are discussed in this paper. The two-way twofold weaving technique is used by the Batak, and this study points to a total of 15 layer groups found in the Batak weaves out of the 80 layer groups known in crystallography. Full Article text
we Finback: a web-based data collection system at SSRF biological macromolecular crystallography beamlines By journals.iucr.org Published On :: 2024-01-19 An integrated computer software system for macromolecular crystallography (MX) data collection at the BL02U1 and BL10U2 beamlines of the Shanghai Synchrotron Radiation Facility is described. The system, Finback, implements a set of features designed for the automated MX beamlines, and is marked with a user-friendly web-based graphical user interface (GUI) for interactive data collection. The Finback client GUI can run on modern browsers and has been developed using several modern web technologies including WebSocket, WebGL, WebWorker and WebAssembly. Finback supports multiple concurrent sessions, so on-site and remote users can access the beamline simultaneously. Finback also cooperates with the deployed experimental data and information management system, the relevant experimental parameters and results are automatically deposited to a database. Full Article text
we Modelling the power threshold and optimum thermal deformation of indirectly liquid-nitrogen cryo-cooled Si monochromators By journals.iucr.org Published On :: 2024-04-09 Maximizing the performance of crystal monochromators is a key aspect in the design of beamline optics for diffraction-limited synchrotron sources. Temperature and deformation of cryo-cooled crystals, illuminated by high-power beams of X-rays, can be estimated with a purely analytical model. The analysis is based on the thermal properties of cryo-cooled silicon crystals and the cooling geometry. Deformation amplitudes can be obtained, quickly and reliably. In this article the concept of threshold power conditions is introduced and defined analytically. The contribution of parameters such as liquid-nitrogen cooling efficiency, thermal contact conductance and interface contact area of the crystal with the cooling base is evaluated. The optimal crystal illumination and the base temperature are inferred, which help minimize the optics deformation. The model has been examined using finite-element analysis studies performed for several beamlines of the Diamond-II upgrade. Full Article text
we Web-CONEXS: an inroad to theoretical X-ray absorption spectroscopy By journals.iucr.org Published On :: 2024-08-01 Accurate analysis of the rich information contained within X-ray spectra usually calls for detailed electronic structure theory simulations. However, density functional theory (DFT), time-dependent DFT and many-body perturbation theory calculations increasingly require the use of advanced codes running on high-performance computing (HPC) facilities. Consequently, many researchers who would like to augment their experimental work with such simulations are hampered by the compounding of nontrivial knowledge requirements, specialist training and significant time investment. To this end, we present Web-CONEXS, an intuitive graphical web application for democratizing electronic structure theory simulations. Web-CONEXS generates and submits simulation workflows for theoretical X-ray absorption and X-ray emission spectroscopy to a remote computing cluster. In the present form, Web-CONEXS interfaces with three software packages: ORCA, FDMNES and Quantum ESPRESSO, and an extensive materials database courtesy of the Materials Project API. These software packages have been selected to model diverse materials and properties. Web-CONEXS has been conceived with the novice user in mind; job submission is limited to a subset of simulation parameters. This ensures that much of the simulation complexity is lifted and preliminary theoretical results are generated faster. Web-CONEXS can be leveraged to support beam time proposals and serve as a platform for preliminary analysis of experimental data. Full Article text
we Investigating the missing-wedge problem in small-angle X-ray scattering tensor tomography across real and reciprocal space By journals.iucr.org Published On :: 2024-08-28 Small-angle-scattering tensor tomography is a technique for studying anisotropic nanostructures of millimetre-sized samples in a volume-resolved manner. It requires the acquisition of data through repeated tomographic rotations about an axis which is subjected to a series of tilts. The tilt that can be achieved with a typical setup is geometrically constrained, which leads to limits in the set of directions from which the different parts of the reciprocal space map can be probed. Here, we characterize the impact of this limitation on reconstructions in terms of the missing wedge problem of tomography, by treating the problem of tensor tomography as the reconstruction of a three-dimensional field of functions on the unit sphere, represented by a grid of Gaussian radial basis functions. We then devise an acquisition scheme to obtain complete data by remounting the sample, which we apply to a sample of human trabecular bone. Performing tensor tomographic reconstructions of limited data sets as well as the complete data set, we further investigate and validate the missing wedge problem by investigating reconstruction errors due to data incompleteness across both real and reciprocal space. Finally, we carry out an analysis of orientations and derived scalar quantities, to quantify the impact of this missing wedge problem on a typical tensor tomographic analysis. We conclude that the effects of data incompleteness are consistent with the predicted impact of the missing wedge problem, and that the impact on tensor tomographic analysis is appreciable but limited, especially if precautions are taken. In particular, there is only limited impact on the means and relative anisotropies of the reconstructed reciprocal space maps. Full Article text
we Relationship between synthesis method–crystal structure–melting properties in cocrystals: the case of caffeine–citric acid By journals.iucr.org Published On :: 2024-05-07 The influence of the crystal synthesis method on the crystallographic structure of caffeine–citric acid cocrystals was analyzed thanks to the synthesis of a new polymorphic form of the cocrystal. In order to compare the new form to the already known forms, the crystal structure of the new cocrystal (C8H10N4O2·C6H8O7) was solved by powder X-ray diffraction thanks to synchrotron experiments. The structure determination was performed using `GALLOP', a recently developed hybrid approach based on a local optimization with a particle swarm optimizer, particularly powerful when applied to the structure resolution of materials of pharmaceutical interest, compared to classical Monte-Carlo simulated annealing. The final structure was obtained through Rietveld refinement, and first-principles density functional theory (DFT) calculations were used to locate the H atoms. The symmetry is triclinic with the space group Poverline{1} and contains one molecule of caffeine and one molecule of citric acid per asymmetric unit. The crystallographic structure of this cocrystal involves different hydrogen-bond associations compared to the already known structures. The analysis of these hydrogen bonds indicates that the cocrystal obtained here is less stable than the cocrystals already identified in the literature. This analysis is confirmed by the determination of the melting point of this cocrystal, which is lower than that of the previously known cocrystals. Full Article text
we Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks By journals.iucr.org Published On :: 2024-08-19 The synthesis and structural characterization of four novel supramolecular hydrogen-bonded arrangements based on self-assembly from molecular `[Cu(2,2'-biimidazole)]' modules and malonate anions are presented, namely, tetrakis(2,2'-biimidazole)di-μ-chlorido-dimalonatotricopper(II) pentahydrate, [Cu3(C3H2O4)2Cl2(C6H6N4)4]·5H2O or [Cu(H2biim)2(μ-Cl)Cu0.5(mal)]2·5H2O, aqua(2,2'-biimidazole)malonatocopper(II) dihydrate, [Cu(C3H2O4)(C6H6N4)(H2O)]·2H2O or [Cu(H2biim)(mal)(H2O)]·2H2O, bis[aquabis(2,2'-biimidazole)copper(II)] dimalonatodiperchloratocopper(II) 2.2-hydrate, [Cu(C6H6N4)2(H2O)]2[Cu(C3H2O4)(ClO4)2]·2.2H2O or [Cu(H2biim)2(H2O)]2[Cu(mal)2(ClO4)2]·2.2H2O, and bis(2,2'-biimidazole)copper(II) bis[bis(2,2'-biimidazole)(2-carboxyacetato)malonatocopper(II)] tridecahydrate, [Cu(C6H6N4)2][Cu(C3H2O4)(C3H3O4)(C6H6N4)2]·13H2O or [Cu(H2biim)2][Cu(H2biim)2(Hmal)(mal)]2·13H2O. These assemblies are characterized by self-complementary donor–acceptor molecular interactions, demonstrating a recurrent and distinctive pattern of hydrogen-bonding preferences among the carboxylate, carboxylic acid and N—H groups of the coordinated 2,2'-biimidazole and malonate ligands. Additionally, coordination of the carboxylate group with the metallic centre helps sustain remarkable supramolecular assemblies, such as layers, helices, double helix columns or 3D channeled architectures, including mixed-metal complexes, into a single structure. Full Article text
we A web-based dashboard for RELION metadata visualization By journals.iucr.org Published On :: 2024-01-24 Cryo-electron microscopy (cryo-EM) has witnessed radical progress in the past decade, driven by developments in hardware and software. While current software packages include processing pipelines that simplify the image-processing workflow, they do not prioritize the in-depth analysis of crucial metadata, limiting troubleshooting for challenging data sets. The widely used RELION software package lacks a graphical native representation of the underlying metadata. Here, two web-based tools are introduced: relion_live.py, which offers real-time feedback on data collection, aiding swift decision-making during data acquisition, and relion_analyse.py, a graphical interface to represent RELION projects by plotting essential metadata including interactive data filtration and analysis. A useful script for estimating ice thickness and data quality during movie pre-processing is also presented. These tools empower researchers to analyse data efficiently and allow informed decisions during data collection and processing. Full Article text
we The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria By journals.iucr.org Published On :: 2024-02-19 Low-molecular-weight (LMW) thiols are involved in many processes in all organisms, playing a protective role against reactive species, heavy metals, toxins and antibiotics. Actinobacteria, such as Mycobacterium tuberculosis, use the LMW thiol mycothiol (MSH) to buffer the intracellular redox environment. The NADPH-dependent FAD-containing oxidoreductase mycothiol disulfide reductase (Mtr) is known to reduce oxidized mycothiol disulfide (MSSM) to MSH, which is crucial to maintain the cellular redox balance. In this work, the first crystal structures of Mtr are presented, expanding the structural knowledge and understanding of LMW thiol reductases. The structural analyses and docking calculations provide insight into the nature of Mtrs, with regard to the binding and reduction of the MSSM substrate, in the context of related oxidoreductases. The putative binding site for MSSM suggests a similar binding to that described for the homologous glutathione reductase and its respective substrate glutathione disulfide, but with distinct structural differences shaped to fit the bulkier MSSM substrate, assigning Mtrs as uniquely functioning reductases. As MSH has been acknowledged as an attractive antitubercular target, the structural findings presented in this work may contribute towards future antituberculosis drug development. Full Article text
we Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them By journals.iucr.org Published On :: 2024-07-16 The Mycobacterium tuberculosis trifunctional enzyme (MtTFE) is an α2β2 tetrameric enzyme in which the α-chain harbors the 2E-enoyl-CoA hydratase (ECH) and 3S-hydroxyacyl-CoA dehydrogenase (HAD) active sites, and the β-chain provides the 3-ketoacyl-CoA thiolase (KAT) active site. Linear, medium-chain and long-chain 2E-enoyl-CoA molecules are the preferred substrates of MtTFE. Previous crystallographic binding and modeling studies identified binding sites for the acyl-CoA substrates at the three active sites, as well as the NAD binding pocket at the HAD active site. These studies also identified three additional CoA binding sites on the surface of MtTFE that are different from the active sites. It has been proposed that one of these additional sites could be of functional relevance for the substrate channeling (by surface crawling) of reaction intermediates between the three active sites. Here, 226 fragments were screened in a crystallographic fragment-binding study of MtTFE crystals, resulting in the structures of 16 MtTFE–fragment complexes. Analysis of the 121 fragment-binding events shows that the ECH active site is the `binding hotspot' for the tested fragments, with 41 binding events. The mode of binding of the fragments bound at the active sites provides additional insight into how the long-chain acyl moiety of the substrates can be accommodated at their proposed binding pockets. In addition, the 20 fragment-binding events between the active sites identify potential transient binding sites of reaction intermediates relevant to the possible channeling of substrates between these active sites. These results provide a basis for further studies to understand the functional relevance of the latter binding sites and to identify substrates for which channeling is crucial. Full Article text
we EMhub: a web platform for data management and on-the-fly processing in scientific facilities By journals.iucr.org Published On :: 2024-10-07 Most scientific facilities produce large amounts of heterogeneous data at a rapid pace. Managing users, instruments, reports and invoices presents additional challenges. To address these challenges, EMhub, a web platform designed to support the daily operations and record-keeping of a scientific facility, has been introduced. EMhub enables the easy management of user information, instruments, bookings and projects. The application was initially developed to meet the needs of a cryoEM facility, but its functionality and adaptability have proven to be broad enough to be extended to other data-generating centers. The expansion of EMHub is enabled by the modular nature of its core functionalities. The application allows external processes to be connected via a REST API, automating tasks such as folder creation, user and password generation, and the execution of real-time data-processing pipelines. EMhub has been used for several years at the Swedish National CryoEM Facility and has been installed in the CryoEM center at the Structural Biology Department at St. Jude Children's Research Hospital. A fully automated single-particle pipeline has been implemented for on-the-fly data processing and analysis. At St. Jude, the X-Ray Crystallography Center and the Single-Molecule Imaging Center have already expanded the platform to support their operational and data-management workflows. Full Article text
we In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry By journals.iucr.org Published On :: 2024-07-15 The advent of serial crystallography has rejuvenated and popularized room-temperature X-ray crystal structure determination. Structures determined at physiological temperature reveal protein flexibility and dynamics. In addition, challenging samples (e.g. large complexes, membrane proteins and viruses) form fragile crystals that are often difficult to harvest for cryo-crystallography. Moreover, a typical serial crystallography experiment requires a large number of microcrystals, mainly achievable through batch crystallization. Many medically relevant samples are expressed in mammalian cell lines, producing a meager quantity of protein that is incompatible with batch crystallization. This can limit the scope of serial crystallography approaches. Direct in situ data collection from a 96-well crystallization plate enables not only the identification of the best diffracting crystallization condition but also the possibility for structure determination under ambient conditions. Here, we describe an in situ serial crystallography (iSX) approach, facilitating direct measurement from crystallization plates mounted on a rapidly exchangeable universal plate holder deployed at a microfocus beamline, ID23-2, at the European Synchrotron Radiation Facility. We applied our iSX approach on a challenging project, autotaxin, a therapeutic target expressed in a stable human cell line, to determine the structure in the lowest-symmetry P1 space group at 3.0 Å resolution. Our in situ data collection strategy provided a complete dataset for structure determination while screening various crystallization conditions. Our data analysis reveals that the iSX approach is highly efficient at a microfocus beamline, improving throughput and demonstrating how crystallization plates can be routinely used as an alternative method of presenting samples for serial crystallography experiments at synchrotrons. Full Article text
we Structure of MltG from Mycobacterium abscessus reveals structural plasticity between composed domains By journals.iucr.org Published On :: 2024-11-01 MltG, a membrane-bound lytic transglycosylase, has roles in terminating glycan polymerization in peptidoglycan and incorporating glycan chains into the cell wall, making it significant in bacterial cell-wall biosynthesis and remodeling. This study provides the first reported MltG structure from Mycobacterium abscessus (maMltG), a superbug that has high antibiotic resistance. Our structural and biochemical analyses revealed that MltG has a flexible peptidoglycan-binding domain and exists as a monomer in solution. Further, the putative active site of maMltG was disclosed using structural analysis and sequence comparison. Overall, this study contributes to our understanding of the transglycosylation reaction of the MltG family, aiding the design of next-generation antibiotics targeting M. abscessus. Full Article text
we Synthesis and crystal structures of two related Co and Mn complexes: a celebration of collaboration between the universities of Dakar and Southampton By journals.iucr.org Published On :: 2023-11-16 We report the synthesis and structures of two transition-metal complexes involving 2-(2-hydroxyphenyl)benzimidazole (2hpbi – a ligand of interest for its photoluminescent applications), with cobalt, namely, bis[μ-2-(1H-1,3-benzodiazol-2-yl)phenolato]bis[ethanol(thiocyanato)cobalt(II)], [Co2(C13H9N2O)2(NCS)2(C2H6O)2], (1), and manganese, namely, bis[μ-2-(1H-1,3-benzodiazol-2-yl)phenolato]bis{[2-(1H-1,3-benzodiazol-2-yl)phenolato](thiocyanato)manganese(III)} dihydrate, [Mn2(C13H9N2O)4(NCS)2]·2H2O, (2). These structures are two recent examples of a fruitful collaboration between researchers at the Laboratoire de Chimie de Coordination Organique/Organic Coordination Chemistry Laboratory (LCCO), University of Dakar, Senegal and the National Crystallography Service (NCS), School of Chemistry, University Southampton, UK. This productive partnership was forged through meeting at Pan-African Conferences on Crystallography and quickly grew as the plans for the AfCA (African Crystallographic Association) developed. This article therefore also showcases this productive partnership, in celebration of the IUCr's 75 year anniversary and the recent inclusion of AfCA as a Regional Associate of the IUCr. Full Article text
we JUAMI, the joint undertaking for an African materials institute: building materials science research collaborations and capabilities between continents By journals.iucr.org Published On :: 2024-01-26 JUAMI, the joint undertaking for an African materials institute, is a project to build collaborations and materials research capabilities between PhD researchers in Africa, the United States, and the world. Focusing on research-active universities in the East African countries of Kenya, Ethiopia, Tanzania and Uganda, the effort has run a series of schools focused on materials for sustainable energy and materials for sustainable development. These bring together early-career researchers from Africa, the US, and beyond, for two weeks in a close-knit environment. The program includes lectures on cutting-edge research from internationally renowned speakers, highly interactive tutorial lectures on the science behind the research, also from internationally known researchers, and hands-on practicals and team-building exercises that culminate in group proposals from self-formed student teams. The schools have benefited more than 300 early-career students and led to proposals that have received funding and have led to research collaborations and educational non-profits. JUAMI continues and has an ongoing community of alumni who share resources and expertise, and is open to like-minded people who want to join and develop contacts and collaborations internationally. Full Article text
we Synthesis and crystal structure of the adduct between 2-pyridylselenyl chloride and isobutyronitrile By journals.iucr.org Published On :: 2024-02-06 The reaction between 2-pyridylselenenyl chloride and isobutyronitrile results in the formation of the corresponding cationic pyridinium-fused 1,2,4-selenodiazole, namely, 3-(propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride, C9H11N2Se+·Cl−, in high yield (89%). The structure of the compound, established by means of single-crystal X-ray analysis at 100 K, has monoclinic (P21/c) symmetry and revealed the presence of bifurcated chalcogen-hydrogen bonding Se⋯Cl−⋯H—Cl, and these non-covalent contacts were analysed by DFT calculations followed by a topological analysis of the electron-density distribution (ωB97XD/6-311++G** level of theory). Full Article text