4WQB
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - bisulfite soak
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100.15 |
| Detector technology | PIXEL |
| Collection date | 2013-07-21 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.259, 70.734, 57.851 |
| Unit cell angles | 90.00, 129.25, 90.00 |
Refinement procedure
| Resolution | 28.700 - 1.501 |
| R-factor | 0.123 |
| Rwork | 0.122 |
| R-free | 0.14750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.483 |
| 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] | 28.700 | 1.560 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.030 | 0.150 |
| Number of reflections | 37651 | |
| <I/σ(I)> | 24.42 | 7.27 |
| Completeness [%] | 95.0 | 91 |
| Redundancy | 3.4 | 3.3 |
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 |
