7BKF
Crystal structure of WT BA3943, a CE4 family pseudoenzyme from Bacillus Anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.441, 58.614, 78.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.656 - 1.139 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hpa |
RMSD bond length | 0.004 |
RMSD bond angle | 0.719 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.700 | 1.210 |
High resolution limit [Å] | 1.139 | 1.140 |
Rmeas | 0.075 | |
Number of reflections | 92525 | 12163 |
<I/σ(I)> | 11.14 | 0.33 |
Completeness [%] | 96.1 | 79 |
Redundancy | 6.0872 | |
CC(1/2) | 0.160 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | (NH4)2SO4 CH3COONA PH=5 |