9KUL
Bovine Heart Cytochrome c Oxidase in the Xenon-bound Fully Oxidized State under Anaerobic Condition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2024-10-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 181.900, 204.000, 178.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| R-factor | 0.12188 |
| Rwork | 0.120 |
| R-free | 0.15484 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8h8r |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.903 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.051 | 0.860 |
| Number of reflections | 1185920 | 87780 |
| <I/σ(I)> | 38.8 | 4.48 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.2 | 20 |
| CC(1/2) | 1.000 | 0.964 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | 40 mM sodium phosphate buffer, pH 6.8 0.2% (w/v) decyl-maltoside 1% (w/v) polyethylene glycol 4000 |
