8S5S
Crystal structure of a Sulfite dehydrogenase from Thermus thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96851 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 130.020, 130.020, 114.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.559 - 1.850 |
| Rwork | 0.165 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.926 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.560 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.025 | 0.386 |
| Number of reflections | 49202 | 4833 |
| <I/σ(I)> | 16.83 | 2.46 |
| Completeness [%] | 99.9 | 99.96 |
| Redundancy | 12.2 | 12.7 |
| CC(1/2) | 0.999 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 14% PEG 8000, 0.1 M sodium citrate tribasic dihydrate pH 5.5 |
