7TIH
Structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 178.037, 182.696, 205.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.339 - 2.350 |
Rwork | 0.193 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7tie |
RMSD bond length | 0.009 |
RMSD bond angle | 1.618 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.339 | 2.480 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 277487 | 40279 |
<I/σ(I)> | 6.7 | 1 |
Completeness [%] | 99.9 | |
Redundancy | 6.9 | |
CC(1/2) | 0.993 | 0.456 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.8 | 277 | PEG 4000, Potassium phosphate, Decylmaltoside |