2XC2
Crystal structure of oxidized Schistosoma mansoni Thioredoxin pre- protein at 1.6 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.931, 51.998, 59.313 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.100 - 1.560 |
| R-factor | 0.20653 |
| Rwork | 0.205 |
| R-free | 0.24491 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xwa |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.459 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.100 | 1.610 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.060 | 0.180 |
| Number of reflections | 15044 | |
| <I/σ(I)> | 26.9 | 5.1 |
| Completeness [%] | 100.0 | 96.5 |
| Redundancy | 10.1 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M SODIUM CACODYLATE PH 6.5, 10MM ZINC ACETATE, 24% (W/V) PEG 8000 |
