2XCT
The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.984, 123.166, 170.418 |
| Unit cell angles | 90.00, 90.25, 90.00 |
Refinement procedure
| Resolution | 24.956 - 3.350 |
| R-factor | 0.1692 |
| Rwork | 0.166 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.442 |
| 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] | 25.000 | 3.530 |
| High resolution limit [Å] | 3.350 | 3.350 |
| Rmerge | 0.140 | 0.470 |
| Number of reflections | 52713 | |
| <I/σ(I)> | 11.1 | 2.7 |
| Completeness [%] | 98.5 | 98.4 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 11% PEG 3350, 0.15M BIS TRIS PH 6.2 |
