2V6O
Structure of Schistosoma mansoni Thioredoxin-Glutathione Reductase (SmTGR)
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 |
| Collection date | 2007-03-14 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.324, 102.533, 59.027 |
| Unit cell angles | 90.00, 112.63, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.200 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h6v |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.054 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.340 |
| Number of reflections | 39579 | |
| <I/σ(I)> | 9.3 | 5.2 |
| Completeness [%] | 97.1 | 95.4 |
| Redundancy | 3.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 22% PEG 3350, 0.1M HEPES PH 7.2, 0.2M NANO3, 5MM DTT |
