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IUCr Congress collection
Celebrating the 75th Anniversary of the IUCr
The triennial congresses of the IUCr are the major international scientific meetings for structural scientists worldwide. This virtual issue presents a collection of articles covering research reported at the 26th IUCr Congress and articles celebrating the 75th Anniversary of the IUCr. The 26th Congress was held in Melbourne, Australia from 22 to 29 August 2023. Articles will be added to the collection during 2023 and 2024.
editorial
The International Union of Crystallography (IUCr) and its journals are celebrating their 75th anniversary. In this editorial, some of the publication achievements are highlighted and prospects for the future reviewed in an emerging open-access world.
lead articles
This article reviews phase evaluation in macromolecular crystallography. It accompanies the 2023 Ewald Prize lecture at the 26th IUCr Congress, paying tribute to Paul Ewald's far-reaching influence.
topical reviews
Formate dehydrogenases (FDHs) catalyze the two-electron oxidation of formate to carbon dioxide. This article presents recent progress in the structural analysis of FDHs together with their potential biotechnological applications.
Photosystem II is the enzyme responsible for generating nearly all the oxygen in the atmosphere. Room-temperature time-resolved crystallography and spectroscopy measurements at X-ray free-electron lasers help to elucidate the sequence of events in the water oxidation reaction of photosystem II leading to the formation of dioxygen from two molecules of water.
research articles
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A binding approach based on electronic force density fields was used to describe the structures of the molecule, dimer and crystal of a uracil derivative. Transferable multipole pseudo-atoms were successfully used to reconstruct the inner-crystal electronic force density fields.
CCDC reference: 2259862
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AlphaFold predictions can be used both as a starting point for structure determination and as a method of model optimization. The Phenix PredictAndBuild tool automates iterative prediction and model building, yielding a density map and model starting with sequence information and crystallographic data.
This contribution outlines how to obtain perfect precise colorings of tilings, and illustrates this by obtaining perfect precise colorings of some families of k-valent semiregular planar tilings with k colors.
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Advances in X-ray hardware and software have revolutionized crystallography: now crystal structures can be routinely solved first, with publication-quality datasets collected second. This same approach now allows multi-grain crystallography to be completed in the laboratory with Cu Kα X-rays.
letters to the editor
Open access
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The formal launch of Protein Data Bank China (PDBc) is announced, and the history of the wwPDB, recently established mechanisms for adding new wwPDB data centers and the processes developed to bring PDBc into the partnership are described.
