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 |