Improving the accuracy and resolution of neutron crystallographic data by three-dimensional profile fitting of Bragg peaks in reciprocal space
暂无分享,去创建一个
V. Lynch | P. Langan | L. Coates | P. Langan | H. Dobbek | R. Archibald | R. McFeeters | J. Carpenter | M. Bommer | F. Gallmeier | Xiaoping Wang | B. Sullivan
[1] Sarah J. Cooper,et al. Substrate Binding Induces Conformational Changes in a Class A β-lactamase That Prime It for Catalysis , 2018 .
[2] Gwyndaf Evans,et al. DIALS: implementation and evaluation of a new integration package , 2018, Acta crystallographica. Section D, Structural biology.
[3] S. Hofbauer,et al. Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies , 2017, ACS catalysis.
[4] L. Coates,et al. Protein crystallization and initial neutron diffraction studies of the photosystem II subunit PsbO. , 2017, Acta crystallographica. Section F, Structural biology communications.
[5] C. Unkefer,et al. Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation. , 2017, Biochemistry.
[6] G. Borgstahl,et al. Preliminary neutron diffraction analysis of challenging human manganese superoxide dismutase crystals , 2017, Acta crystallographica. Section F, Structural biology communications.
[7] M. Gutmann. A 3D profile function suitable for integration of neutron time-of-flight single crystal diffraction peaks , 2017 .
[8] C. Unkefer,et al. Fifteen years of the Protein Crystallography Station: the coming of age of macromolecular neutron crystallography , 2017, IUCrJ.
[9] T. Ohhara,et al. Application of profile fitting method to neutron time-of-flight protein single crystal diffraction data collected at the iBIX , 2016, Scientific Reports.
[10] P. Moody,et al. Direct visualization of a Fe(IV)–OH intermediate in a heme enzyme , 2016, Nature Communications.
[11] K. Tomoyori,et al. New data reduction protocol for Bragg reflections observed by TOF single-crystal neutron diffractometry for protein crystals with large unit cells , 2016 .
[12] W. B. O’Dell,et al. Neutron protein crystallography: A complementary tool for locating hydrogens in proteins. , 2016, Archives of biochemistry and biophysics.
[13] K. Weiss,et al. Neutron diffraction analysis of Pseudomonas aeruginosa peptidyl-tRNA hydrolase 1. , 2016, Acta crystallographica. Section F, Structural biology communications.
[14] D. Graham,et al. Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography , 2015, Proceedings of the National Academy of Sciences.
[15] R. Riedel,et al. Design and performance of a large area neutron sensitive anger camera , 2015 .
[16] E. Iverson,et al. The Macromolecular Neutron Diffractometer MaNDi at the Spallation Neutron Source , 2015 .
[17] P. F. Peterson,et al. Mantid - Data Analysis and Visualization Package for Neutron Scattering and $μ SR$ Experiments , 2014, 1407.5860.
[18] P. Moody,et al. Neutron cryo-crystallography captures the protonation state of ferryl heme in a peroxidase , 2014, Science.
[19] P. F. Peterson,et al. Integration of neutron time-of-flight single-crystal Bragg peaks in reciprocal space , 2014 .
[20] K. Diederichs,et al. Better models by discarding data? , 2013, Acta crystallographica. Section D, Biological crystallography.
[21] P. Andrew Karplus,et al. Linking Crystallographic Model and Data Quality , 2012, Science.
[22] P. Zwart,et al. Towards automated crystallographic structure refinement with phenix.refine , 2012, Acta crystallographica. Section D, Biological crystallography.
[23] M. Mustyakimov,et al. High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)alamin. , 2011, Acta crystallographica. Section D, Biological crystallography.
[24] Matthew J. Frost,et al. CrystalPlan: an experiment-planning tool for crystallography , 2011 .
[25] Philip R. Evans,et al. An introduction to data reduction: space-group determination, scaling and intensity statistics , 2011, Acta crystallographica. Section D, Biological crystallography.
[26] Paul D Adams,et al. Joint X-ray and neutron refinement with phenix.refine. , 2010, Acta crystallographica. Section D, Biological crystallography.
[27] Jonathan A. Cooper,et al. Neutron diffraction studies of a class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant. , 2010, Journal of molecular biology.
[28] Randy J. Read,et al. Acta Crystallographica Section D Biological , 2003 .
[29] W. Kabsch. XDS , 2010, Acta crystallographica. Section D, Biological crystallography.
[30] Jon Cooper,et al. The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction. , 2008, Journal of the American Chemical Society.
[31] Raul Cachau,et al. Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase , 2008, Proceedings of the National Academy of Sciences.
[32] K. Lefmann,et al. Monte Carlo simulations of neutron-scattering instruments using McStas , 2000 .
[33] A G Leslie,et al. Biological Crystallography Integration of Macromolecular Diffraction Data , 2022 .
[34] J. Pflugrath,et al. The finer things in X-ray diffraction data collection. , 1999, Acta crystallographica. Section D, Biological crystallography.
[35] G. Artioli,et al. Profile‐Fitting Treatment of Single‐Crystal Diffraction Data , 1996 .
[36] J. W. Campbell. LAUEGEN, an X-windows-based program for the processing of Laue diffraction data , 1995 .
[37] G. McIntyre,et al. Integration of single‐crystal reflections using area multidetectors , 1988 .
[38] S. Ikeda,et al. Wide-energy-range, high-resolution measurements of neutron pulse shapes of polyethylene moderators , 1985 .
[39] A. Wlodawer,et al. Improved technique for peak integration for crystallographic data collected with position‐sensitive detectors: a dynamic mask procedure , 1981 .
[40] G. S. Smith,et al. Single‐crystal intensity measurements with the three‐circle counter diffractometer , 1962 .
[41] Wolfgang Kabsch,et al. Integration, scaling, space‐group assignment and post refinement , 2006 .
[42] Z. Otwinowski,et al. [20] Processing of X-ray diffraction data collected in oscillation mode. , 1997, Methods in enzymology.
[43] S. Harrison,et al. [19] Oscillation method with large unit cells , 1985 .
[44] M. Rossmann. Determining the intensity of Bragg reflections from oscillation photographs. , 1985, Methods in enzymology.
[45] R Diamond,et al. Profile analysis in single crystal diffractometry. , 1969, Acta crystallographica. Section A, Crystal physics, diffraction, theoretical and general crystallography.