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 |