Crystallographic refinement statisitics
WebIn crystallography, the R-factor (sometimes called residual factor or reliability factor or the R-value or R Work) is a measure of the agreement between the crystallographic model and the experimental X-ray diffraction data. In other words, it is a measure of how well the refined structure predicts the observed data. [1] WebCrystallographic refinement of the complex between Fc fragment and fragment B of protein A from Staphylococcus aureus reduced the R value of the model is 0.24. A major part of the structure of fragment B consists of two alpha helics; the rest of the polypeptide chain is folded irregularly. In the crystal, fragment B forms two contacts with Fc ...
Crystallographic refinement statisitics
Did you know?
WebTable S1. Crystallographic Statistics for Data Collection, Structure Solution, and Refinement, Related to Figure 1 . a Values in parentheses are for reflections in the … Web摘要： In this work, low alloy steels with different grain size and crystallographic orientations were prepared by advanced thermo-mechanical processes, and the microstructure and electrochemical corrosion behaviors were characterized by electron backscatter diffraction (EBSD), X-ray photoelectron spectroscopy (XPS), and …
WebDownload Table Crystallographic data collection and refinement statistics from publication: Divergent Evolution of Nuclear Localization Signal Sequences in Herpesvirus … WebDownload Table Crystallographic refinements statistics. from publication: Charge-density analysis of 1-nitroindoline: Refinement quality using free R factors and restraints …
WebCrystallographic Data and Refinement Statistics, Related to the Experimental Procedures Data Collection Dataset WT D228N R201A WT + PIP2 R201A + PIP2 PDB code 3SYO 3SYC 3SYP 3SYA 3SYQ Space Group P4212 P4212 P4212 P4212 C2221 Cell constants (Å) a = b = 85.74 a = b = 86.49 a = b = 85.43 a = b = 85.85 a = 87.61 b = 208.49 ... WebFeb 15, 2024 · Crystallography Software 203,084 Structures from the PDB 1,068,577 Computed Structure Models (CSM) Additional Resources Crystallography Software Access additional resources of interest, submitted by community members. Please report any encountered broken links to [email protected] Last updated: 2/15/2024
WebRefinement settings Parameterization (refinement strategy) Targets and restraints Optimization methods and other options Creating restraints Neutron crystallography Atom selection Identifying and editing TLS groups Running phenix.refine After refinement Frequently Asked Questions Acknowledgements References GUI overview
WebMay 25, 2012 · In macromolecular x-ray crystallography, refinement R values measure the agreement between observed and calculated data. Analogously, Rmerge values reporting on the agreement between multiple measurements of a … chime adjectiveWeba measure of agreement between the amplitudes of the structure factors calculated from a crystallographic model and those from the original X-ray diffraction data. The R factor is … chime advisory boardWebTable 1 Data collection and refinement statistics (molecular replacement). Crystal 1 name Crystal 2 name Data collection Refinement Resolution (Å) No. reflections Rwork / Rfree … chime add in for outlookWebMar 1, 1991 · Crystallographic refinement by simulated annealing with molecular dynamics has been applied to a 2.8 A (1 A = 0.1 nm) resolution X-ray structure of aspartate aminotransferase, achieving structural changes and improvements of the electron density maps that were not possible by using restrained least-squares refinement without … chime activation cardWebTable S2 Data collection and refinement statistics for crystallographic screening of tuning molecules. Compound # ALD2-OXA4 ALD2-OXA9 ALD2-OXA13 ALD2-OXA14 ALD2 … chime actorWebThe vast majority of structure refinements are still based on techniques that make use of one crucial simplification that was introduced in the early days of crystallographic refinement: the Independent Atom Model (IAM), in … chime ach transferWebTable S1. Crystallographic Data and Refinement Statistics, Related to Experimental Procedures Values in parentheses are for the highest resolution shell a; bR free is the … chimeaka white attorney