8DG0
Crystal Structure of EcDsbA in a complex with Urea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.341, 64.324, 75.346 |
| Unit cell angles | 90.00, 125.32, 90.00 |
Refinement procedure
| Resolution | 47.460 - 2.500 |
| R-factor | 0.2051 |
| Rwork | 0.202 |
| R-free | 0.25730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.926 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.850 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.099 | 1.497 |
| Rmeas | 0.117 | |
| Rpim | 0.061 | 0.869 |
| Number of reflections | 17916 | 1847 |
| <I/σ(I)> | 13.6 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.998 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293.15 | 11-13 % PEG 8000, 5-7.5% GLYCEROL, 100MM NA CACODYLATE PH6.1, 1MM CuCl2 |
