4WQC
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100.15 |
| Detector technology | PIXEL |
| Collection date | 2014-02-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.054, 71.034, 57.811 |
| Unit cell angles | 90.00, 129.10, 90.00 |
Refinement procedure
| Resolution | 39.440 - 1.560 |
| R-factor | 0.1486 |
| Rwork | 0.146 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.477 |
| 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] | 39.440 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.050 | 0.500 |
| Number of reflections | 33997 | |
| <I/σ(I)> | 11.12 | 1.42 |
| Completeness [%] | 96.0 | 90 |
| Redundancy | 2.3 | 2.2 |
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 |
