1YDK
Crystal structure of the I219A mutant of human glutathione transferase A1-1 with S-hexylglutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.530, 91.472, 51.482 |
| Unit cell angles | 90.00, 92.40, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.218 |
| Rwork | 0.203 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.012 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.055 | 0.275 |
| Number of reflections | 29853 | |
| Completeness [%] | 92.7 | 67.8 |
| Redundancy | 3.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 2000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
