2X8G
Oxidized thioredoxin glutathione reductase from Schistosoma mansoni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY |
| Synchrotron site | BESSY |
| Temperature [K] | 100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.595, 102.785, 59.216 |
| Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.18984 |
| Rwork | 0.189 |
| R-free | 0.21001 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v6o |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.064 |
| 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] | 40.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.320 |
| Number of reflections | 52728 | |
| <I/σ(I)> | 12.2 | 3.2 |
| Completeness [%] | 90.0 | 92.6 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | VAPOR DIFFUSION, SITTING DROPS, CRYSTALS GROWN IN HEPES 0.1 M PH 7.4, PEG 3350 20%, KI 0.2M, 2-MERCAPTOETHANOL 5MM SOAKED WITH CUSO4 0.001 MM. |
