4ER9
Crystal structure of cytochrome b562 from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97909 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 67.388, 67.388, 57.189 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.846 - 1.897 |
| R-factor | 0.2256 |
| Rwork | 0.224 |
| R-free | 0.26380 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.993 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.042 | 0.632 |
| Number of reflections | 11910 | |
| <I/σ(I)> | 54.8 | 2.74 |
| Completeness [%] | 97.4 | 86 |
| Redundancy | 8.7 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | 3.5M Ammonium sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
