7DPR
E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate
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 | 2018-12-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97907 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.973, 67.389, 102.365 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.290 - 1.750 |
R-factor | 0.22605 |
Rwork | 0.225 |
R-free | 0.25235 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z9b |
RMSD bond length | 0.007 |
RMSD bond angle | 1.258 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.290 | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.069 | 0.057 | 0.469 |
Rmeas | 0.075 | 0.063 | 0.511 |
Rpim | 0.029 | 0.025 | 0.200 |
Number of reflections | 43063 | 2345 | 2142 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 99.9 | 100 | 100 |
Redundancy | 6.5 | 6.2 | 6.4 |
CC(1/2) | 0.975 | 0.903 |
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 |