Citations
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Journal ArticleDOI
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
Advanced solution scattering data analysis methods and their applications
TL;DR: In this article, a multiphase model of a particle build from densely packed dummy atoms is used to find a compact interconnected configuration of phases that fits the available experimental data, which is compared to another ab initio method using low resolution envelope functions.
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High-pressure protein crystallography of hen egg-white lysozyme
TL;DR: The crystal structure of hen egg-white lysozyme was analyzed under pressures of up to 950 MPa and induced a novel phase transition in the tetragonal crystal of HEWL.
Journal ArticleDOI
Structure and function study of the complex that synthesizes S-adenosylmethionine.
Ben Murray,Svetlana V. Antonyuk,Alberto Marina,Sebastiaan M. Van Liempd,Shelly C. Lu,José M. Mato,S. Samar Hasnain,Adriana L. Rojas +7 more
TL;DR: X-ray crystallography and solution X-ray scattering structures of the MAT2 complex show an unexpected stoichiometry, offering a unique mechanism of regulation and thus providing a gateway for structure-based drug design in anticancer therapies including liver disease.
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On high-resolution reciprocal-space mapping with a triple-crystal diffractometer for high-energy X-rays.
TL;DR: It is shown how the transverse and longitudinal resolution depend on the choice of the crystal reflection, and how the orientation of a reciprocal-lattice distortion in an investigated sample towards the resolution element of the instrument can play an important role.
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SnB version 2.2: an example of crystallographic multiprocessing
TL;DR: The computer program SnB implements a direct-methods algorithm, known as Shake-and-Bake, which optimizes trial structures consisting of randomly positioned atoms, which can be easily implemented in parallel in order to decrease the real time required to achieve a solution.