4OCF
Crystal structure of the disulfide oxidoreductase DsbA (S30XXC33) active site mutant from Proteus mirabilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.990, 80.210, 114.450 |
| Unit cell angles | 90.00, 91.06, 90.00 |
Refinement procedure
| Resolution | 57.215 - 1.979 |
| R-factor | 0.155 |
| Rwork | 0.152 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oce |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.244 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.220 | 2.090 |
| High resolution limit [Å] | 1.979 | 1.979 |
| Rmerge | 0.073 | 0.155 |
| Number of reflections | 47865 | |
| <I/σ(I)> | 14.3 | 8.4 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | KSCN, PEG33500, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
