Citations
More filters
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
More filters
Journal ArticleDOI
Crystal structure of a monomeric retroviral protease solved by protein folding game players.
Firas Khatib,Frank DiMaio,Seth Cooper,Maciej Kazmierczyk,Miroslaw Gilski,Szymon Krzywda,Helena Zábranská,Iva Pichová,James Thompson,Zoran Popović,Mariusz Jaskolski,David Baker +11 more
TL;DR: Players of the protein folding game Foldit were able to generate models of sufficient quality for successful molecular replacement and subsequent structure determination of M-PMV retroviral protease, providing new insights for the design of antiretroviral drugs.
Journal ArticleDOI
The structure of the ribosome with elongation factor G trapped in the posttranslocational state.
Yong-Gui Gao,Maria Selmer,Christine M. Dunham,Albert Weixlbaumer,Ann C. Kelley,Venki Ramakrishnan +5 more
TL;DR: A crystal structure refined to 3.6 angstrom resolution of the ribosome trapped with EF-G in the posttranslocational state using the antibiotic fusidic acid is reported, providing insights into translocation and decoding.
Journal ArticleDOI
Advanced ensemble modelling of flexible macromolecules using X-ray solution scattering.
TL;DR: New developments in the modelling of flexible biological macromolecules from SAXS data offer extended possibilities of using high-resolution models and provide metrics for quantitative characterization of the reconstructed ensembles.
Journal ArticleDOI
Decision making in xia2
TL;DR: The basis for decision making in the program xia2 is described, alongside the framework to support these protocols, and applications of these protocols to interactive data processing are highlighted.
Journal ArticleDOI
Versatile sample environments and automation for biological solution X‐ray scattering experiments at the P12 beamline (PETRA III, DESY)
Clement E. Blanchet,Alessandro Spilotros,Frank Schwemmer,Melissa A. Graewert,Alexey Kikhney,Cy M. Jeffries,Daniel Franke,Daniel Mark,Roland Zengerle,Florent Cipriani,Stefan Fiedler,Manfred Roessle,Dmitri I. Svergun +12 more
TL;DR: An integrated environment for biological small-angle X-ray scattering (BioSAXS) at the high-brilliance P12 synchrotron beamline of the EMBL (DESY, Hamburg) allows for a broad range of solution scattering experiments.