4TKY
The complex structure of E. coli DsbA bound to a peptide at the DsbA/DsbB interface
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 | 2013-04-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 |
Unit cell lengths | 59.959, 62.533, 67.260 |
Unit cell angles | 99.55, 103.80, 114.00 |
Refinement procedure
Resolution | 34.402 - 2.500 |
R-factor | 0.1788 |
Rwork | 0.176 |
R-free | 0.23690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvk |
RMSD bond length | 0.005 |
RMSD bond angle | 0.873 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.800 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.120 | 0.681 |
Number of reflections | 28147 | |
<I/σ(I)> | 10.1 | 1.8 |
Completeness [%] | 97.9 | 92.3 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium sulfate, BIS-TRIS, Pentaerythritol ethoxylate |