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 |