6FMZ
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,4-Bis(2-hydroxyethyl)piperazine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-12 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.935, 102.713, 59.148 |
Unit cell angles | 90.00, 113.09, 90.00 |
Refinement procedure
Resolution | 40.311 - 1.800 |
R-factor | 0.1501 |
Rwork | 0.149 |
R-free | 0.17830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v6o |
RMSD bond length | 0.009 |
RMSD bond angle | 1.071 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.067 | 0.490 |
Number of reflections | 72511 | 4256 |
<I/σ(I)> | 11.4 | |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | peg 3350 20%, bistris 0.1 M, KI 0.2 M |