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 |