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 |