5Z9Q
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 | 2017-07-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.922, 68.728, 102.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.060 - 1.800 |
| R-factor | 0.20965 |
| Rwork | 0.209 |
| R-free | 0.22949 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4duh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.281 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.060 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.308 |
| Number of reflections | 39606 | 3536 |
| <I/σ(I)> | 47.3 | 7.2 |
| Completeness [%] | 89.5 | 81.3 |
| Redundancy | 5.4 | 5.4 |
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 |
