6PD7
Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7
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 | 2018-07-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.339, 48.822, 91.538 |
| Unit cell angles | 90.00, 117.03, 90.00 |
Refinement procedure
| Resolution | 43.190 - 1.920 |
| R-factor | 0.1896 |
| Rwork | 0.187 |
| R-free | 0.23140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dsb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.779 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.190 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.076 | 0.583 |
| Rmeas | 0.090 | 0.695 |
| Rpim | 0.048 | 0.373 |
| Number of reflections | 35961 | 2265 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.6 | 94.1 |
| Redundancy | 6.8 | 6.1 |
| CC(1/2) | 0.999 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 25-35 % PEG MME 2000, 100-300 mM KBr |
