4WQA
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate co-crystallization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100.15 |
| Detector technology | PIXEL |
| Collection date | 2013-06-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.192, 71.054, 57.781 |
| Unit cell angles | 90.00, 129.11, 90.00 |
Refinement procedure
| Resolution | 46.478 - 1.640 |
| R-factor | 0.1674 |
| Rwork | 0.165 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.601 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX ((phenix.refine: dev_1830)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.480 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.060 | 0.490 |
| Number of reflections | 55147 | |
| <I/σ(I)> | 11.03 | 1.99 |
| Completeness [%] | 97.0 | 92 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.28 | 293.15 | 23.5% (w/v) PEG 3350, 0.1 M Bis-tris pH 6.28, 0.2 M (NH4)2SO4, 0.1 M NaI |
