Citations
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Software for the high-throughput collection of SAXS data using an enhanced Blu-Ice/DCS control system
Scott Classen,Ivan Rodic,James M. Holton,James M. Holton,Greg L. Hura,Michal Hammel,John A. Tainer +6 more
TL;DR: The Blu-Ice GUI and Distributed Control System developed in the Macromolecular Crystallography Group at the Stanford Synchrotron Radiation Laboratory has been optimized, extended and enhanced to suit the specific needs of the SAXS endstation at the SIBYLS beamline at the Advanced Light Source.
Journal ArticleDOI
Energy spectra considerations for synchrotron radiotherapy trials on the ID17 bio-medical beamline at the European Synchrotron Radiation Facility.
Jeffrey C. Crosbie,Pauline Fournier,Stefan Bartzsch,Mattia Donzelli,Iwan Cornelius,Iwan Cornelius,Andrew W. Stevenson,Andrew W. Stevenson,Herwig Requardt,Elke Bräuer-Krisch +9 more
TL;DR: The validation of the beam spectrum by the copper half value layer measurements means the authors can provide an accurate spectrum as an input to a treatment planning system for the forthcoming veterinary trials of microbeam radiotherapy to spontaneous tumours in cats and dogs.
Journal ArticleDOI
Condor : a simulation tool for flash X-ray imaging
TL;DR: Condor, an open-source simulation tool to predict X-ray scattering amplitudes for flash X-rays imaging experiments, is introduced.
Journal ArticleDOI
On the temperature dependence of H-Uiso in the riding hydrogen model
Jens Lübben,Christian Volkmann,Simon Grabowsky,Alison J. Edwards,Wolfgang Morgenroth,Francesca P. A. Fabbiani,George M. Sheldrick,Birger Dittrich +7 more
TL;DR: The temperature dependence of hydrogen U iso and parent U eq in the riding hydrogen model is investigated by neutron diffraction, aspherical-atom refinements and QM/MM and MO/MO cluster calculations.
Journal ArticleDOI
Structure of the lutein-binding domain of human StARD3 at 1.74 Å resolution and model of a complex with lutein.
Martin P. Horvath,Evan W. George,Quang T. Tran,Kody Baumgardner,Gabe Zharov,Sarah Lee,Hassan Sharifzadeh,Saeed Shihab,Ty Mattinson,Binxing Li,Paul S. Bernstein +10 more
TL;DR: Rigid-body docking demonstrates that at least a portion of lutein must protrude from the large tunnel-like cavity characteristic of this helix-grip protein and suggests a mechanism for luteIn binding specificity.
References
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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.
Journal ArticleDOI
Phaser crystallographic software
Airlie J. McCoy,Ralf W. Grosse-Kunstleve,Paul D. Adams,Martyn Winn,Laurent C. Storoni,Randy J. Read +5 more
TL;DR: A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing.