8GYD
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 65 |
Unit cell lengths | 64.149, 64.149, 227.652 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.900 - 1.700 |
R-factor | 0.1943 |
Rwork | 0.193 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m9b |
RMSD bond length | 0.008 |
RMSD bond angle | 0.920 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (3-FEB-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.550 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 56854 | 2979 |
<I/σ(I)> | 36.2 | |
Completeness [%] | 98.1 | |
Redundancy | 20.6 | |
CC(1/2) | 1.000 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 49% Saturated ammonium sulfate, 0.3 M Sodium acetate, pH 5.6, 2% ethanol, 10 mM DTT |