8PLI
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 19.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-27 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.470, 103.840, 133.540 |
Unit cell angles | 90.00, 91.96, 90.00 |
Refinement procedure
Resolution | 41.160 - 2.330 |
R-factor | 0.2297 |
Rwork | 0.226 |
R-free | 0.28830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.935 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | DIMPLE |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.160 | 2.413 |
High resolution limit [Å] | 2.330 | 2.330 |
Number of reflections | 70758 | 6959 |
<I/σ(I)> | 10.57 | |
Completeness [%] | 97.0 | |
Redundancy | 1.8 | |
CC(1/2) | 0.958 | 0.244 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Calcium chloride dihydrate, 0.1 M Magnesium chloride hexahydrate, 0.1 M PIPES pH 7.0 and 22.5 % v/v PEG Smear Medium |