7THU
Structure of reduced bovine cytochrome c oxidase at 1.93 Angstrom resolution obtained by synchrotron X-rays
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 178.182, 182.282, 208.683 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.003 - 1.930 |
Rwork | 0.184 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyr |
RMSD bond length | 0.018 |
RMSD bond angle | 1.809 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.003 | 2.030 |
High resolution limit [Å] | 1.930 | 1.930 |
Number of reflections | 500705 | 72908 |
<I/σ(I)> | 12.6 | 1 |
Completeness [%] | 99.2 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.416 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.8 | 277 | PEG 4000, Postassium phosphate, Decylmaltoside |