4RBR
Crystal structure of Repressor of Toxin (Rot), a central regulator of Staphylococcus aureus virulence
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-01 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.560, 37.530, 63.910 |
| Unit cell angles | 85.45, 82.26, 81.26 |
Refinement procedure
| Resolution | 31.607 - 1.700 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.21260 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.879 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.030 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 29564 | |
| <I/σ(I)> | 10.8 | 2.8 |
| Completeness [%] | 93.7 | 91.7 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 296 | 10% PEG 6000, 0.7 M lithium chloride, 0.2 M citric acid pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
