7DQL
E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.491, 67.880, 102.598 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.610 - 1.930 |
R-factor | 0.23226 |
Rwork | 0.231 |
R-free | 0.25772 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z9b |
RMSD bond length | 0.006 |
RMSD bond angle | 1.035 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.610 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Number of reflections | 32929 | 3240 |
<I/σ(I)> | 21.583 | |
Completeness [%] | 99.7 | |
Redundancy | 6.5 | |
CC(1/2) | 0.988 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Tris-HCl pH 7.5, 2.20 M (NH4)2HPO4, 10 mM 2-aminobenzimidazole |