8PDD
Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-21 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.900, 102.400, 131.460 |
| Unit cell angles | 90.00, 92.39, 90.00 |
Refinement procedure
| Resolution | 61.850 - 1.250 |
| R-factor | 0.1439 |
| Rwork | 0.143 |
| R-free | 0.16270 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.899 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.850 | 1.295 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 450219 | 44965 |
| <I/σ(I)> | 13.71 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M tris pH 8.5, 0.2 M magnesium chloride, 15 % w/v polyethylene glycol 4000 |
