5Z9B
Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine
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 | 61.782, 68.231, 102.529 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.800 - 2.100 |
| R-factor | 0.2018 |
| Rwork | 0.201 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4duh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.338 |
| 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] | 56.810 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.078 | 0.235 |
| Number of reflections | 25391 | 2522 |
| <I/σ(I)> | 31.6 | |
| Completeness [%] | 97.6 | 100 |
| Redundancy | 4.5 | 4.7 |
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 |
