2WDF
Termus thermophilus Sulfate thiohydrolase SoxB
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 | 70.363, 86.710, 95.133 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.150 - 2.080 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.22840 |
| 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] | 64.100 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 32817 | |
| <I/σ(I)> | 25.6 | 6.4 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 13 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 MM TRISHCL PH 8.0, 0.1M NACL, 12-13% T-BUTANOL, 0.05M TRIS-ACETAT PH 8.5, 1 MM MNCL2 |
