5ZCP
azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 2 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 MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 183.320, 206.171, 177.625 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.650 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1a |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.726 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.8.0048) |
| Refinement software | REFMAC (5.8.0048) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 200.000 | 200.000 | 1.660 |
| High resolution limit [Å] | 1.650 | 5.641 | 1.650 |
| Rmerge | 0.098 | 0.064 | |
| Number of reflections | 795454 | 20664 | 19806 |
| <I/σ(I)> | 49.611 | 3.112 | |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 18.3 | 21.6 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | PEG 4000, Sodium phosphate |
