3S8G
1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) 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 |
| 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 | 144.963, 98.636, 95.060 |
| Unit cell angles | 90.00, 128.07, 90.00 |
Refinement procedure
| Resolution | 39.480 - 1.800 |
| R-factor | 0.1758 |
| Rwork | 0.175 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.245 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| 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 | 0.112 | 0.066 | 0.592 |
| Number of reflections | 95365 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 97.8 | 95.2 | 92.5 |
| Redundancy | 5 | 5.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 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 |
