9PRL
Crystal structure of E.coli DsbA in complex with analogue 18
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 | 2024-06-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.905, 97.552, 100.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.010 - 1.910 |
| R-factor | 0.1882 |
| Rwork | 0.186 |
| R-free | 0.22490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.928 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.010 | 1.960 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Number of reflections | 75616 | 4670 |
| <I/σ(I)> | 7.21 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1.1 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium phosphate, Potassium phosphate, Sodium acetate pH 4.5 |
