2XCS
The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.318, 93.318, 412.812 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.18373 |
| Rwork | 0.183 |
| R-free | 0.21379 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xcq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.268 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.120 | 0.450 |
| Number of reflections | 113168 | |
| <I/σ(I)> | 11.4 | 2.6 |
| Completeness [%] | 98.6 | 98.6 |
| Redundancy | 5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 18% PEG 5000MME, 0.1 M BISTRIS PH 6.5 |
