3L9S
Crystal Structure of Salmonella enterica serovar Typhimurium DsbA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.956667 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.377, 61.837, 42.951 |
| Unit cell angles | 90.00, 101.32, 90.00 |
Refinement procedure
| Resolution | 21.058 - 1.580 |
| R-factor | 0.147 |
| Rwork | 0.145 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.903 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.082 | 0.188 |
| Number of reflections | 25131 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 95.3 | 87.4 |
| Redundancy | 7.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1M ammonium sulfate, 1% (w/v) polyethylene glycol 3350, 100mM 2,2-bis(hydroxymethyl)-2,2',2"-nitrilotriethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
