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 |
