4OD7
Complex structure of Proteus mirablis DsbA (C30S) with a non-covalently bound peptide PWATCDS
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 | 2012-06-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 32 |
| Unit cell lengths | 74.056, 74.056, 93.270 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.718 - 1.597 |
| R-factor | 0.178 |
| Rwork | 0.172 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oce |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.555 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.130 | 1.680 |
| High resolution limit [Å] | 1.597 | 1.597 |
| Rmerge | 0.080 | 0.973 |
| Number of reflections | 74969 | |
| <I/σ(I)> | 16.3 | 2.4 |
| Completeness [%] | 98.6 | 93.9 |
| Redundancy | 11.2 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG3350, 0.2 M KSCN, 0.2 M NDSB-221, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
