4ERH
The crystal structure of OmpA domain of OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97917, 0.97929 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 109.435, 109.435, 56.392 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.462 - 2.520 |
R-factor | 0.2037 |
Rwork | 0.200 |
R-free | 0.26780 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.064 |
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] | 49.000 | 2.560 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.105 | 0.670 |
Number of reflections | 13436 | |
<I/σ(I)> | 19.9 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2M ammonium sulfate, 20% (w/v) PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |