2WDE
Termus thermophilus Sulfate thiohydrolase SoxB in complex with thiosulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.801, 86.738, 95.383 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.150 - 1.850 |
| R-factor | 0.1873 |
| Rwork | 0.185 |
| R-free | 0.22350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wdc |
| Data reduction software | XPREP |
| Data scaling software | SCALA |
| Refinement software | BUSTER-TNT (2.5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.200 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.060 | 0.380 |
| Number of reflections | 48244 | |
| <I/σ(I)> | 21.5 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5MM TRISHCL PH 8.0, 0.1M NACL, 0.05M TRIS-ACETATE PH 8.5, 12-13% T-BUTANOL, 1MM MNCL2 AND 1 MM NA2S2O3 |
