7DW1
Crystal structure of a glutathione S-transferase SbGSTU6 from Salix babylonica in complex with glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.013, 48.163, 83.990 |
Unit cell angles | 90.00, 110.83, 90.00 |
Refinement procedure
Resolution | 30.900 - 2.270 |
R-factor | 0.2767 |
Rwork | 0.273 |
R-free | 0.30990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kej |
RMSD bond length | 0.016 |
RMSD bond angle | 1.501 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.900 | 2.590 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 17442 | |
<I/σ(I)> | 1.46 | |
Completeness [%] | 82.1 | |
Redundancy | 6.56 | |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289.15 | L-Proline, magnesium, HEFHS, sodium cacodylate trihydrate |