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 |
