5WAU
Crystal Structure of CO-bound Cytochrome c Oxidase determined by Synchrotron X-Ray Crystallography at 100 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 177.923, 182.555, 208.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.000 - 1.950 |
| R-factor | 0.21855 |
| Rwork | 0.217 |
| R-free | 0.24448 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ag1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.611 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.041 | 0.767 |
| Number of reflections | 457753 | |
| <I/σ(I)> | 7 | 0.93 |
| Completeness [%] | 94.3 | 85.3 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.999 | 0.518 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | .2 % decylmaltoside and 2.5 % PEG4000 |
