8PLN
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 24.
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 | C 1 2 1 |
Unit cell lengths | 146.560, 103.571, 62.254 |
Unit cell angles | 90.00, 113.29, 90.00 |
Refinement procedure
Resolution | 29.480 - 2.800 |
R-factor | 0.2363 |
Rwork | 0.232 |
R-free | 0.31950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.129 |
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] | 29.480 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 20462 | 2003 |
<I/σ(I)> | 6.53 | |
Completeness [%] | 96.7 | |
Redundancy | 1.9 | |
CC(1/2) | 0.955 | 0.579 |
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 |