9PRI
Crystal structure of oxidised E.coli DsbA in-complex with analogue 9
This is a non-PDB format compatible entry.
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 | 2024-04-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.958 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.246, 53.641, 42.298 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 41.810 - 1.270 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.19410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.861 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.810 | 1.330 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Number of reflections | 44448 | 6017 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.950 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 11-13% PEG 8000, 5-7.5% glycerol, 1 mM CuCl2, 100 mM sodium cacodylate pH 6.1 |
