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
A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions
Thomas D. Murray,Thomas D. Murray,Artem Y. Lyubimov,Craig M. Ogata,Huy Vo,Monarin Uervirojnangkoorn,Axel T. Brunger,James M. Berger +7 more
TL;DR: A highly X-ray-transparent, silicon nitride-based device has been designed and fabricated to harvest protein microcrystals for high-resolution X-rays diffraction data collection using microfocus beamlines and XFELs.
Journal ArticleDOI
Is it jolly SAD
TL;DR: Examples of phasing macromolecular crystal structures based on single-wavelength anomalous dispersion (SAD) show that this approach is more powerful and may have more general application in structural biology than was anticipated.
Journal ArticleDOI
Extending molecular-replacement solutions with SHELXE
Andrea Thorn,George M. Sheldrick +1 more
TL;DR: Under favourable circumstances, density modification and polyalanine tracing with SHELXE can be used to improve and validate potential solutions from molecular replacement.
Journal ArticleDOI
Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution
TL;DR: These high-resolution structures of the tryptophan-containing variant provide a reference frame for the analysis of thermodynamic and kinetic data derived from a series of mutational studies of the protein L B1 domain.
Journal ArticleDOI
Structural basis for hijacking siderophore receptors by antimicrobial lasso peptides.
Indran Mathavan,Séverine Zirah,Shahid Mehmood,Hassanul G. Choudhury,Christophe Goulard,Yanyan Li,Carol V. Robinson,Sylvie Rebuffat,Konstantinos Beis +8 more
TL;DR: The lasso peptide microcin J25 is known to hijack the siderophore receptor FhuA for initiating internalization and the first structural evidence on the recognition mechanism is provided and biochemical data show that another closely related lasso Peptide cannot interact with F HuA.