9EGR
Crystal structure of oxidised E.coli DsbA in complex with allene
This is a non-PDB format compatible entry.
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 | PIXEL |
| Collection date | 2021-12-02 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 75.451, 65.114, 93.957 |
| Unit cell angles | 90.00, 93.86, 90.00 |
Refinement procedure
| Resolution | 37.640 - 1.620 |
| R-factor | 0.1913 |
| Rwork | 0.190 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.782 |
| 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] | 37.640 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 57277 | 177 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.3 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.998 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24% (w/v) PEG4000, 14% (v/v) glycerol, 0.035 M ammonium sulfate |
