Citations
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A short history of SHELX
TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
Journal ArticleDOI
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.
References
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Journal ArticleDOI
Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Ulrich Zander,Guillaume Hoffmann,Irina Cornaciu,Jean-Pierre Marquette,Gergely Papp,Christophe Landret,Gael Seroul,Jérémy Sinoir,Martin Röwer,Frank Felisaz,Sonia Rodríguez-Puente,Vincent Mariaule,Peter Murphy,Magali Mathieu,Florent Cipriani,José A. Márquez +15 more
TL;DR: New methods for crystal mounting, soaking and cryocooling contribute to bridging the automation gap between crystallization and X-ray data collection.
Journal ArticleDOI
The mode of action of anticancer gold-based drugs: a structural perspective
Luigi Messori,Federica Scaletti,Lara Massai,Maria Agostina Cinellu,Chiara Gabbiani,Alessandro Vergara,Antonello Merlino +6 more
TL;DR: The interactions between a few representative gold-based drugs and hen egg white lysozyme were studied by X-ray crystallography to provide valuable insight into the molecular mechanism of these promising metal compounds and the inherent protein metalation processes.
Journal ArticleDOI
Three-dimensional coherent X-ray diffractive imaging of whole frozen-hydrated cells
Jose A. Rodriguez,Rui Xu,Chien-Chun Chen,Zhifeng Huang,Huaidong Jiang,Allan L. Chen,Kevin S. Raines,Alan Pryor,Daewoong Nam,Lutz Wiegart,Changyong Song,Anders Madsen,Yuriy Chushkin,Federico Zontone,Peter J. Bradley,Jianwei Miao +15 more
TL;DR: The first experimental demonstration of cryogenic CDI for quantitative three- dimensional imaging of whole frozen-hydrated cells is reported, and the three-dimensional mass density of the sub-cellular organization of a Neospora caninum cell is determined based on its natural contrast.
Journal ArticleDOI
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.