5Z9P
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 | 2016-09-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.103, 55.660, 51.055 |
| Unit cell angles | 90.00, 100.27, 90.00 |
Refinement procedure
| Resolution | 70.400 - 1.450 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p8o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.191 |
| 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] | 70.410 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.039 | 0.073 |
| Number of reflections | 67161 | |
| <I/σ(I)> | 41.9 | |
| Completeness [%] | 96.1 | 88.6 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M Tris-HCl pH 8.0, 0.1M MgCl2, 22%(w/v) Polyethylene glycol 3,350 |
