2WDC
Termus thermophilus Sulfate thiohydrolase SoxB in complex with glycerol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.345, 86.456, 95.974 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.260 - 1.500 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.19300 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| Data reduction software | XPREP |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | BUSTER-TNT (2.5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.300 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.350 |
| Number of reflections | 90719 | |
| <I/σ(I)> | 26 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.8 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 MM TRISHC PH 8.0, 0.1 M NACL, 0.05 M TRIS-ACETATE PH 8.5, 12-13% T-BUTANOL |
