7DQW
E. coli GyrB ATPase domain in complex with 4-chlorophenol
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 | 61.666, 67.492, 103.214 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.880 |
R-factor | 0.24588 |
Rwork | 0.245 |
R-free | 0.26341 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z9b |
RMSD bond length | 0.007 |
RMSD bond angle | 1.067 |
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] | 56.490 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Number of reflections | 35714 | 3513 |
<I/σ(I)> | 23.475 | |
Completeness [%] | 99.8 | |
Redundancy | 6.5 | |
CC(1/2) | 0.988 | 0.895 |
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 |