4ZVI
GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-02 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.878, 50.546, 71.344 |
| Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
| Resolution | 71.210 - 2.200 |
| R-factor | 0.2281 |
| Rwork | 0.224 |
| R-free | 0.28210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.099 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.210 | 2.450 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.045 | 0.435 |
| Number of reflections | 20677 | |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 95.9 | 96.8 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277.15 | 15-25% PEG3350 |
