5B3S
Bovine heart cytochrome c oxidase in the carbon monoxide-bound mixed-valence state at 1.68 angstrom resolution (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 | 2013-06-05 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 181.491, 203.303, 177.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.624 - 1.680 |
| R-factor | 0.1538 |
| Rwork | 0.153 |
| R-free | 0.17710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1a |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.722 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.8.0048) |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 200.000 | 200.000 | 1.690 |
| High resolution limit [Å] | 1.680 | 5.750 | 1.680 |
| Rmerge | 0.090 | 0.050 | 1.132 |
| Rmeas | 0.094 | 0.053 | 1.201 |
| Rpim | 0.028 | 0.017 | 0.397 |
| Total number of observations | 7497834 | ||
| Number of reflections | 737777 | 18794 | 18427 |
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 99.9 | 97 | 100 |
| Redundancy | 10.2 | 11.3 | 8.9 |
| CC(1/2) | 0.997 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | 40mM Sodium phosphate, 0.2% decylmaltoside, 2% EG, PEG 4000 |
