5Z9L
Bacterial GyrB ATPase domain in complex with a chemical fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-05-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.070, 69.065, 102.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.210 - 1.600 |
| R-factor | 0.22889 |
| Rwork | 0.228 |
| R-free | 0.24166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4duh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.330 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.220 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.071 | 0.379 |
| Number of reflections | 55927 | 7422 |
| <I/σ(I)> | 10.8 | 2.7 |
| Completeness [%] | 96.9 | 89.6 |
| Redundancy | 5.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 0.1M Tris-HCl pH 7.5, 2.20M (NH4)2HPO4, 10mM 2-aminobenzimidazole |
