7XBA
Glutathione S-transferase bound with a covalent inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 289 |
Detector technology | CCD |
Collection date | 2022-01-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 54.537, 86.336, 124.984 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.040 - 2.830 |
R-factor | 0.183 |
Rwork | 0.179 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j41 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.264 | 0.796 |
Number of reflections | 14653 | |
<I/σ(I)> | 2.9 | |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 9.4 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | Magnesium acetate tetrahydrate, Sodium cacodylate trihydrate pH 6.5, Polyethylene glycol 8000 |