9PH2
Crystal structure of Bordetella pertussis DsbA
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 | 2020-10-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.785, 37.298, 57.111 |
| Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
| Resolution | 40.980 - 1.650 |
| R-factor | 0.1703 |
| Rwork | 0.169 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.781 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.980 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.064 | |
| Rmeas | 0.079 | 0.380 |
| Rpim | 0.037 | 0.186 |
| Number of reflections | 46464 | 2422 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 97.5 | 86.44 |
| Redundancy | 4.3 | 3.9 |
| CC(1/2) | 0.994 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 293 | 0.1 M Bis-Tris (pH 5.75), 25% (w/v) PEG monoethyl ether 5000 |
