4WF4
Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4
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 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.183, 47.196, 62.505 |
| Unit cell angles | 90.00, 96.07, 90.00 |
Refinement procedure
| Resolution | 36.617 - 1.700 |
| R-factor | 0.1787 |
| Rwork | 0.177 |
| R-free | 0.20390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.792 |
| Data reduction software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.530 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.049 | 0.383 |
| Number of reflections | 39824 | |
| <I/σ(I)> | 16.7 | 3.2 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 100-200 mM KBr, 28-33% PEG 2000 MME |
