3DTU
Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides complexed with deoxycholic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 123.243, 132.052, 167.966 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.150 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.21200 |
| Starting model (for MR) | 2gsm |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.215 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.069 | 0.513 |
| Number of reflections | 145257 | |
| <I/σ(I)> | 21.9 | 2.1 |
| Completeness [%] | 96.8 | 77.6 |
| Redundancy | 6.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | 24% PEG-400, 5mM deoxycholic acid , pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
