4WF5
Crystal structure of E.Coli DsbA soaked 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 |
| Collection date | 2012-08-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.246, 63.401, 74.402 |
| Unit cell angles | 90.00, 126.19, 90.00 |
Refinement procedure
| Resolution | 34.460 - 1.450 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.962 |
| 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] | 37.160 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.050 | 0.548 |
| Number of reflections | 78184 | |
| <I/σ(I)> | 14.7 | 2.3 |
| Completeness [%] | 99.4 | 97.8 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 11-13% PEG 8000, 5-7.5% glycerol, 1 mM CuCl2, 100 mM sodium cacodylate |
