2XCR
The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.260, 165.381, 308.431 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.987 - 3.500 |
| R-factor | 0.2102 |
| Rwork | 0.208 |
| R-free | 0.25820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.906 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.090 | 0.340 |
| Number of reflections | 62197 | |
| <I/σ(I)> | 8.6 | 2.2 |
| Completeness [%] | 84.8 | 53.1 |
| Redundancy | 3.3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 0.1M NACL, 0.1M SOODIUM CITRATE PH 5.6, 12% PEG 4000 |
