3QVD
Exposure of rubrerythrin from Pyrococcus furiosus to peroxide, fifteen second time point.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 115 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-11-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.589, 104.458, 104.512 |
| Unit cell angles | 90.00, 90.51, 90.00 |
Refinement procedure
| Resolution | 46.730 - 2.000 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.100 |
| Number of reflections | 111550 |
| <I/σ(I)> | 21.9 |
| Completeness [%] | 96.7 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Capillary batch | 7.2 | 298 | Performed in an anaerobic chamber with less than 1 ppm oxygen at all times. 0.02 M TRIS, 30% PEG 2K MME, pH 7.2, Capillary batch, temperature 298K |
