2XCQ
The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 90.118, 90.118, 416.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.990 - 2.980 |
| R-factor | 0.20914 |
| Rwork | 0.205 |
| R-free | 0.28637 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xco |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.612 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.000 | 3.140 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.070 | 0.470 |
| Number of reflections | 19434 | |
| <I/σ(I)> | 13.3 | 1.9 |
| Completeness [%] | 96.7 | 99.9 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 12.75% PEG 3350, 85MM MGFORMATE, 15% GLYCEROL |
