3L0H
Crystal Structure Analysis of W21A mutant of human GSTA1-1 in complex with S-hexylglutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2009-10-05 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.229, 94.980, 51.987 |
Unit cell angles | 90.00, 92.63, 90.00 |
Refinement procedure
Resolution | 68.920 - 2.130 |
R-factor | 0.17371 |
Rwork | 0.170 |
R-free | 0.23319 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 2.005 |
Data reduction software | SAINT |
Data scaling software | SAINT (V7.34A) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.920 | 1.850 | |
High resolution limit [Å] | 1.790 | 3.860 | 1.790 |
Number of reflections | 29875 | ||
<I/σ(I)> | 156.711 | ||
Completeness [%] | 67.0 | ||
Redundancy | 8.55 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.4M Sodium citrate in 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |