8PLE
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 15.
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 | 62.230, 103.790, 134.410 |
Unit cell angles | 90.00, 91.76, 90.00 |
Refinement procedure
Resolution | 62.200 - 1.940 |
R-factor | 0.2069 |
Rwork | 0.205 |
R-free | 0.23530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.956 |
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] | 62.200 | 2.009 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 124633 | 12385 |
<I/σ(I)> | 5.8 | |
Completeness [%] | 98.6 | |
Redundancy | 1.9 | |
CC(1/2) | 0.996 | 0.477 |
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 |