4WET
Crystal structure of E.Coli DsbA in complex with compound 16
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 | 2013-08-27 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.477, 47.118, 62.588 |
| Unit cell angles | 90.00, 96.20, 90.00 |
Refinement procedure
| Resolution | 41.681 - 1.630 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.927 |
| 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] | 46.420 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.045 | 0.384 |
| Number of reflections | 43616 | |
| <I/σ(I)> | 18.8 | 3.5 |
| Completeness [%] | 96.7 | 95.4 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 100-200 mM KBr, 28-33% PEG 2000 MME |
