7DW4
Crystal structure of a glutathione S-transferase mutant SbGSTU6(I55T) 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 | P 31 2 1 |
| Unit cell lengths | 104.379, 104.379, 53.126 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.420 - 1.570 |
| R-factor | 0.2198 |
| Rwork | 0.220 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7dw3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.174 |
| 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] | 34.420 | 1.910 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 46154 | 4387 |
| <I/σ(I)> | 1.74 | |
| Completeness [%] | 99.4 | |
| Redundancy | 1 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289.15 | Magnesium acetate tetrahydrate, Sodium cacodylate trihydrate, PEG8000 |
