4LA1
Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9707 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.185, 86.470, 183.164 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.235 - 2.348 |
R-factor | 0.1735 |
Rwork | 0.171 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v6o |
RMSD bond length | 0.007 |
RMSD bond angle | 1.059 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.235 | 2.390 |
High resolution limit [Å] | 2.348 | 2.350 |
Number of reflections | 56540 | |
Completeness [%] | 93.7 | 99 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 8% tacsimate pH 6.0, 20% PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |