3HB3
High resolution crystal structure of Paracoccus denitrificans cytochrome c oxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9198 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.403, 150.473, 157.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.250 |
| R-factor | 0.22024 |
| Rwork | 0.218 |
| R-free | 0.27996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ar1 |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.683 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 111.800 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.124 | 0.379 |
| Number of reflections | 90709 | |
| <I/σ(I)> | 14.2 | 3.2 |
| Completeness [%] | 99.0 | 98.3 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 277 | 25% glycerol, pH 5.5, VAPOR DIFFUSION, temperature 277K |
