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 |