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Instruments / Technical Area	Publication Details	Published
	Design of open-framework germanates Kirsten E. Christensen Crystallography Reviews 16 (2), 91-104 DOI: 10.1080/08893110903428043 Show Abstract ▼ Abstract: For zeolite-type frameworks the focus has for a long time been put on producing new structures that can give optimized properties for a variety of different purposes. Many new structures have been produced on a trial and error basis. Open-framework germanates have played the role of forming many new structures as it is easier to form certain building units within the germanate system. It is time to start comparing synthesis mechanisms and building units to determine how we can control the synthesis. Here we will give an overview of some of the structures found within the open-framework germanate system and demonstrate that in order for more optimized systems to be synthesized there is a clear need for the more detailed comparison of the structural systematics of existing materials.	Apr 2010
	Macromolecular microcrystallography Gwyndaf Evans , Danny Axford , David Waterman , Robin Owen Crystallography Reviews DOI: 10.1080/0889311X.2010.527964 Show Abstract ▼ Abstract: Over a decade has passed since pioneering diffraction experiments on macromolecular microcrystals were performed at the European Synchrotron Radiation Facility. Since then the measurement of high-quality diffraction data for the purpose of structure determination has been transformed from a specialized experiment into routine practice at dedicated microfocus macromolecular crystallography beamlines at synchrotron facilities. In this article, we review the evolution of microfocus macromolecular crystallography over the past two decades, and explore the instrumentation and methodologies that have evolved to enable structure determination in the face of unfavourable odds. Several case studies are reviewed in depth illustrating the power of microcrystallography and microfocus instruments and their application in answering important biological questions. Challenges and limitations currently facing the community and areas of future development and problems that must be addressed in the future are also discussed.	Apr 2011
	Machine learning applications in macromolecular X-ray crystallography Melanie Vollmar , Gwyndaf Evans Crystallography Reviews 73, 1 - 48 DOI: 10.1080/0889311X.2021.1982914 Open Access Show Abstract ▼ Abstract: After more than half a century of evolution, machine learning and artificial intelligence, in general, are entering a truly exciting era of broad application in commercial and research sectors. In X-ray crystallography, and its application to structural biology, machine learning is finding a home within expert and automated systems, is forecasting experiment and data analysis outcomes, is predicting whether crystals can be grown and even generating macromolecular structures. This review provides a historical perspective on AI and machine learning, offers an introduction and guide to its application in crystallography and concludes with topical examples of how it is currently influencing macromolecular crystallography.	Oct 2021
	Structural biology of SARS-CoV-2 endoribonuclease NendoU (nsp15) Sam Horrell , Gianluca Santoni , Andrea Thorn Crystallography Reviews 11, 1 - 17 DOI: 10.1080/0889311X.2022.2065270 Show Abstract ▼ Abstract: The SARS-CoV-2’s endoribonuclease (NendoU) nsp15, is an Mn2+ dependent endoribonuclease specific to uridylate that SARS-CoV-2 uses to avoid the innate immune response by managing the stray RNA generated during replication. As of the writing of this review 20 structures of SARS-CoV-2 nsp15 have been deposited into the PDB, largely solved using X-ray crystallography and some through Cryo-EM. These structures show that an nsp15 monomer consist of three conserved domains, the N-terminal oligomerization domain, the middle domain, and the catalytic NendoU domain. Enzymatically active nsp15 forms a hexamer through a dimer of trimers (point group 32), whose assembly is facilitated by the oligomerization domain. This review summarises the structural and functional information gained from SARs-CoV-2, SARs-CoV and MERS-CoV nsp15 structures, compiles the current structure-based drug design efforts, and complementary knowledge with a view to provide a clear starting point for downstream structure users interested in studying nsp15 as a novel drug target to treat COVID-19.	Jun 2022
I19-Small Molecule Single Crystal Diffraction	Chemical Crystallography: when are ‘bad data’ ‘good data’? Amber Thompson Crystallography Reviews 25, 3-53 DOI: 10.1080/0889311X.2019.1569643 Diamond Proposal Number(s): [13639] Show Abstract ▼ Abstract: There is an increasing trend to reduce diffraction data collection to a set of numbers and the crystallography to a set of criteria. Many of these criteria have been passed on through generations of crystallographers. In Chemical Crystallography, the majority of small-molecule singe crystal diffraction data are still collected using laboratory equipment. Herein we review the methods for analysing data, discuss some of the influences on data quality and try to determine whether some of the validation tropes widely used are sound advice, or ‘Chinese Whispers’.	Mar 2019

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