3X2Q
X-ray structure of cyanide-bound bovine heart cytochrome c oxidase in the fully oxidized state at 2.0 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] | 100 |
| Detector technology | CCD |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 183.678, 206.675, 178.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.18818 |
| Rwork | 0.187 |
| R-free | 0.21437 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dyr |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.332 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.125 | 0.204 |
| Number of reflections | 451915 | |
| <I/σ(I)> | 18.5 | 1.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.5 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 6.8 | 277 | 40mM Sodium phosphate, 0.2% decylmaltoside, PEG 4000, pH 6.8, batch, temperature 277K |
