5Z9M
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 | 2017-03-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.380, 101.790, 104.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.040 - 2.740 |
| R-factor | 0.20048 |
| Rwork | 0.200 |
| R-free | 0.21697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4duh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.226 |
| 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] | 73.040 | 2.880 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.071 | 0.399 |
| Number of reflections | 27942 | 3447 |
| <I/σ(I)> | 17.4 | 4.5 |
| Completeness [%] | 93.1 | 95.1 |
| Redundancy | 5.5 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M MES pH 6.0, 2.5M MgSO4, 8mM Tris-(2-carboxyethyl)phosphine (TECP). |
