4JRR
Crystal structure of disulfide bond oxidoreductase DsbA1 from Legionella pneumophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.91837 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.876, 80.137, 66.257 |
| Unit cell angles | 90.00, 92.86, 90.00 |
Refinement procedure
| Resolution | 36.980 - 1.880 |
| R-factor | 0.1645 |
| Rwork | 0.162 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.808 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 5.100 | 1.880 |
| Rmerge | 0.062 | 0.025 | 0.526 |
| Number of reflections | 47575 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.1M BTP, 0.2M ammonium sulfate, 25% PEG 3350, 0.02M DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
