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 |
