8GVM
The structure of azide-bound cytochrome C oxidase determined using the crystals exposed to 20 mm azide solution for 4 days
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 | 2014-07-03 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 183.405, 206.272, 177.609 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.969 - 1.851 |
| R-factor | 0.1652 |
| Rwork | 0.164 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1a |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.736 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | DM |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 1.870 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.092 | 1.082 |
| Rpim | 0.022 | 0.391 |
| Number of reflections | 564234 | 13836 |
| <I/σ(I)> | 42.5 | 3.3 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 12.8 | 8.2 |
| CC(1/2) | 0.879 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | PEG 4000, SODIUM PHOSPHATE BUFFER PH 6.8 |
