5VES
The 2.4A crystal structure of OmpA domain of OmpA 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 | 2014-09-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97917 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 109.371, 109.371, 56.391 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.454 - 2.400 |
R-factor | 0.189 |
Rwork | 0.186 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4erh |
RMSD bond length | 0.007 |
RMSD bond angle | 1.119 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.102 | 0.691 |
Rpim | 0.048 | 0.322 |
Number of reflections | 15529 | 748 |
<I/σ(I)> | 19.94 | 2.39 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.5 | 5.5 |
CC(1/2) | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2M AMMONIUM SULFATE, 20% (W/V) PEG3350, |