2X8H
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with GSH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.576, 102.885, 59.112 |
| Unit cell angles | 90.00, 112.62, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.1811 |
| Rwork | 0.180 |
| R-free | 0.19364 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v6o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.978 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PDBSET |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.900 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.130 | 0.360 |
| Number of reflections | 58385 | |
| <I/σ(I)> | 9.6 | 5.4 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | VAPOR DIFFUSION, SITTING DROPS, HEPES 0.1M PH7.4, PEG 3350 20%, KI 0.2M, GSH 5MM. |
