5WEH
Cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | H 3 |
Unit cell lengths | 339.221, 339.221, 89.199 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.450 - 3.450 |
R-factor | 0.2244 |
Rwork | 0.223 |
R-free | 0.26150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m56 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.683 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.570 |
High resolution limit [Å] | 3.450 | 3.450 |
Rmerge | 0.085 | 0.370 |
Number of reflections | 48530 | 3998 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 94.6 | 77.8 |
Redundancy | 5.1 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 278 | PEG400 23%, MES pH 5.9, Sodium Chloride 50 mM, |