6ZLB
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.754, 101.830, 60.415 |
Unit cell angles | 90.00, 113.09, 90.00 |
Refinement procedure
Resolution | 37.000 - 1.900 |
R-factor | 0.1698 |
Rwork | 0.168 |
R-free | 0.19970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v6o |
RMSD bond length | 0.008 |
RMSD bond angle | 0.863 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.054 | 0.496 |
Number of reflections | 64412 | 4009 |
<I/σ(I)> | 14 | 2.3 |
Completeness [%] | 99.1 | |
Redundancy | 3.8 | |
CC(1/2) | 0.998 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | PEG 3350 20%, potassium iodide 0.2M, bistris 0.1M |