4K8F
Structure of the heme domain of CooA from Rhodospirillum rubrum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 |
| Unit cell lengths | 71.230, 71.230, 143.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.615 - 2.700 |
| R-factor | 0.2038 |
| Rwork | 0.197 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ft9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.210 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.066 | 0.650 |
| Number of reflections | 19766 | |
| <I/σ(I)> | 22.3 | 2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 9.3 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 295 | 20% PEG8000, 100 mM CHES 5 mM dithionite in an anaerobic chamber , pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
