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
Refinement of glucose isomerase from Streptomyces albus at 1.65 A with data from an imaging plate.
TL;DR: The structure of 'metal-free' glucose isomerase of Streptomyces albus strain number YT ATCC 21132 has been analysed and refined at 1.65 A to a final R factor of 14.1%.
Journal ArticleDOI
Structure of the N-terminal domain of human FKBP52
TL;DR: It can be inferred from the locations of strictly conserved amino acids in the polypeptide chain that the maintenance of the overall conformation of the PPIase domains of FKBPs is essential for the P PIase activity.
Journal ArticleDOI
SynchWeb: a modern interface for ISPyB
TL;DR: SynchWeb significantly simplifies sample registration and is targeted towards live data collection monitoring and remote access for macromolecular crystallography.
Journal ArticleDOI
Vanadate complexes in serum: a speciation modeling study.
TL;DR: Speciation modeling calculations suggest that, under serum conditions, apoTf is probably the primary metal ion binder, even in the presence of the most stable V(V) carrier ligands hpno and maltol and HSA plays a negligible role in V( V) binding.
Journal ArticleDOI
Quantitative voxel‐to‐voxel comparison of TriBeam and DCT strontium titanate three‐dimensional data sets
William C. Lenthe,McLean P. Echlin,Andreas Trenkle,Melanie Syha,Melanie Syha,Peter Gumbsch,Tresa M. Pollock +6 more
TL;DR: In this article, a methodology for combining three-dimensional tomographic data has been developed for combining multi-modal data sets acquired via multiple techniques for the quantitative analysis of structure, chemistry and phase information.