3S8F
1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment
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 | 2010-08-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0330 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.585, 97.816, 94.952 |
Unit cell angles | 90.00, 128.30, 90.00 |
Refinement procedure
Resolution | 37.260 - 1.800 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 2.169 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MiFit |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.097 | 0.060 | 0.680 |
Number of reflections | 92466 | ||
<I/σ(I)> | 11.5 | ||
Completeness [%] | 97.3 | 96.8 | 90.2 |
Redundancy | 4.7 | 4.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6 | 293 | 40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K |