6ZLP
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.038, 101.807, 58.515 |
Unit cell angles | 90.00, 112.95, 90.00 |
Refinement procedure
Resolution | 37.003 - 2.150 |
R-factor | 0.1797 |
Rwork | 0.179 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v6o |
RMSD bond length | 0.004 |
RMSD bond angle | 0.634 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.800 | 2.220 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.072 | 0.638 |
Number of reflections | 41931 | 3658 |
<I/σ(I)> | 11.4 | 2.2 |
Completeness [%] | 99.8 | |
Redundancy | 4.8 | |
CC(1/2) | 0.998 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 294 | PEG 3350 20%, potassium iodide 0.2, BisTris 0.1M, 5mM DTT |