2X99
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.502, 102.610, 59.938 |
| Unit cell angles | 90.00, 112.82, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.19176 |
| Rwork | 0.190 |
| R-free | 0.23119 |
| Structure solution method | OTHER |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.302 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PDBSET |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.400 |
| Number of reflections | 33294 | |
| <I/σ(I)> | 18.4 | 3.8 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 8.1 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 0.1 M HEPES AT PH 7.0, 20% PEG 3350, 0.2 M KSCN, 5 MM GSH, 0.4 MM NADPH. |
