7D5W
Bovine heart cytochrome c oxidase in a catalytic intermediate of O at 1.84 angstrom resolution
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 | 2015-02-03 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 181.435, 203.092, 177.794 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.915 - 1.840 |
| R-factor | 0.1555 |
| Rwork | 0.154 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1a |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.447 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | DM |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 137.000 | 1.860 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.096 | 0.896 |
| Rpim | 0.033 | 0.400 |
| Number of reflections | 561788 | 13951 |
| <I/σ(I)> | 31.7 | 4.4 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 7.3 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.7 | 277 | PEG 4000, SODIUM PHOSPHATE BUFFER |
