4IF4
Crystal Structure of the Magnesium and beryllofluoride-activated VraR from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0809 |
| Spacegroup name | H 3 |
| Unit cell lengths | 110.603, 110.603, 284.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.981 - 2.350 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1068) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.060 | 0.026 | 0.777 |
| Number of reflections | 52999 | ||
| <I/σ(I)> | 12.5 | 66.5 | 1.9 |
| Completeness [%] | 98.6 | 99 | 97.7 |
| Redundancy | 5.8 | 5.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.7 | 277 | 100 mM sodium cacodylate, 200 mM LiSO4, 9% (w/v) PEG 8000, pH 6.7, VAPOR DIFFUSION, temperature 277K |
