8PL0
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 1.
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) | 0.928 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.626, 103.919, 134.140 |
Unit cell angles | 90.00, 91.97, 90.00 |
Refinement procedure
Resolution | 29.670 - 1.700 |
R-factor | 0.1898 |
Rwork | 0.189 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.918 |
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] | 29.670 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 185712 | 18391 |
<I/σ(I)> | 10.53 | |
Completeness [%] | 98.6 | |
Redundancy | 1.9 | |
CC(1/2) | 0.999 | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Calcium chloride dihydrate, Magnesium chloride hexahydrate, PIPES pH 7.0 and PEG Smear Medium |