6Y1E
Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94)
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 | 2019-07-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.916 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.638, 72.179, 88.624 |
Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
Resolution | 55.966 - 1.402 |
R-factor | 0.2183 |
Rwork | 0.217 |
R-free | 0.25110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aqx |
Data reduction software | xia2 |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.638 | 1.427 |
High resolution limit [Å] | 1.402 | 1.402 |
Rmerge | 0.131 | 2.251 |
Rmeas | 0.142 | |
Number of reflections | 163749 | 7637 |
<I/σ(I)> | 7.1 | 0.6 |
Completeness [%] | 96.8 | 90.9 |
Redundancy | 6.3 | 4.7 |
CC(1/2) | 0.996 | 0.327 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10 mg/ml hGSTP1-1 (50 mM dipotassium phosphate, 1.5 mM EDTA, 10 mM DTT, 10 mM GSH and 0.02 % (w/v) sodium azide, pH 7.0) with 3.5 mM IAA-94 (5% DMSO (v/v)) was crystallized in 100 mM MES and 16 % (w/v) PEG-6000, pH 6.5. The crystals were harvested and then immersed two to three times in 100% (v/v) Parabar 10312 (Paratone) |