7TII
Annealed structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 178.037, 182.633, 205.453 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.303 - 2.450 |
| Rwork | 0.206 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dyr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.622 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 244470 | 11967 |
| <I/σ(I)> | 6.9 | 0.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.9 | |
| CC(1/2) | 0.993 | 0.402 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | PEG 4000, Potassium Phosphate, Decylmaltoside |
