7VVR
Bovine cytochrome c oxidese in CN-bound mixed valence state at 50 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 50 |
| Detector technology | CCD |
| Collection date | 2013-11-13 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 182.307, 204.706, 177.379 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.946 - 1.650 |
| R-factor | 0.1535 |
| Rwork | 0.152 |
| R-free | 0.17560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1a |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.884 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 140.000 | 1.610 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.091 | |
| Rpim | 0.023 | 0.398 |
| Number of reflections | 862696 | 21415 |
| <I/σ(I)> | 45.11 | 2.79 |
| Completeness [%] | 100.0 | |
| Redundancy | 15.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | PEG4000, Sodium phosphate buffer |
