8PLF
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 16.
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 | 62.240, 103.472, 133.568 |
Unit cell angles | 90.00, 92.02, 90.00 |
Refinement procedure
Resolution | 29.530 - 1.950 |
R-factor | 0.2027 |
Rwork | 0.201 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.914 |
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] | 29.530 | 2.023 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 121963 | 11976 |
<I/σ(I)> | 7.69 | |
Completeness [%] | 99.4 | |
Redundancy | 1.9 | |
CC(1/2) | 0.997 | 0.668 |
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 |