2XBQ
Crystal structure of reduced Schistosoma mansoni Thioredoxin pre- protein at 1.7 Angstrom
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 |
| Collection date | 2006-05-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 |
| Unit cell lengths | 62.143, 62.143, 58.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.840 - 1.670 |
| R-factor | 0.21611 |
| Rwork | 0.215 |
| R-free | 0.24184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xwa |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.763 |
| 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] | 53.800 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 0.540 |
| Number of reflections | 29180 | |
| <I/σ(I)> | 15.2 | 2.2 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M SODIUM CACODYLATE PH 6.5, 5 MM ZINC ACETATE, 5 MM TCEP, 24% (W/V) PEG 8000 |
