Citations
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Data processing pipeline for serial femtosecond crystallography at SACLA
Takanori Nakane,Yasumasa Joti,Kensuke Tono,Makina Yabashi,Eriko Nango,So Iwata,Ryuichiro Ishitani,Osamu Nureki +7 more
TL;DR: A data processing pipeline for SACLA was developed, based on Cheetah and CrystFEL, and real-time analysis and rapid structure solution were enabled.
Journal ArticleDOI
TEMPy: a Python library for assessment of three-dimensional electron microscopy density fits
Irene Farabella,Daven Vasishtan,Agnel Praveen Joseph,Arun Prasad Pandurangan,Harpal Sahota,Maya Topf +5 more
TL;DR: TEMPy is an object-oriented Python library that provides the means to validate density fits in electron microscopy reconstructions and this article highlights several features of particular interest.
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Phase transitions and rare-earth magnetism in hexagonal and orthorhombic DyMnO3 single crystals
S Harikrishnan,Sahana Rößler,C M Naveen Kumar,H. L. Bhat,Ulrich K. Rößler,Steffen Wirth,Frank Steglich,Suja Elizabeth +7 more
TL;DR: The floating-zone method with different growth ambiences has been used to selectively obtain hexagonal or orthorhombic DyMnO(3) single crystals, which show magnetic anisotropy and complex magnetic properties due to 4f-4f and4f-3d couplings.
Journal ArticleDOI
Stereoselective Halogenation of Integral Unsaturated C-C Bonds in Chemically and Mechanically Robust Zr and Hf MOFs
TL;DR: The synthesis and extensive characterisation of extended UiO‐66 (Zr and Hf) series MOFs containing integral unsaturated alkene, alkyne and butadiyne units are reported, which serve as reactive sites for postsynthetic modification (PSM) by halogenation and are expected to allow trapping of toxic vapours, but also modulate the mechanical properties of the MOFs.
Journal ArticleDOI
Exploiting fast detectors to enter a new dimension in room-temperature crystallography
Robin L. Owen,Neil G. Paterson,Danny Axford,Jun Aishima,Clemens Schulze-Briese,Jingshan Ren,Elizabeth E. Fry,David I. Stuart,Gwyndaf Evans +8 more
TL;DR: A departure from a linear or an exponential decay in the diffracting power of macromolecular crystals is observed and accounted for through consideration of a multi-state sequential model.
References
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The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI
Crystal structure refinement with SHELXL
TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
Journal ArticleDOI
Coot: model-building tools for molecular graphics.
Paul Emsley,Kevin Cowtan +1 more
TL;DR: CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics.
Journal ArticleDOI
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.
Journal ArticleDOI
Phaser crystallographic software
Airlie J. McCoy,Ralf W. Grosse-Kunstleve,Paul D. Adams,Martyn Winn,Laurent C. Storoni,Randy J. Read +5 more
TL;DR: A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing.