2R3X
Crystal structure of an R15L hGSTA1-1 mutant complexed with S-hexyl-glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-02-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.103, 93.858, 51.566 |
| Unit cell angles | 90.00, 93.90, 90.00 |
Refinement procedure
| Resolution | 18.520 - 1.800 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3l |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.456 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.681 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 39503 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | A 4uL hanging drop comprising: 2uL 14 mg/mL R15L hGSTA1-1 solution added to 2uL reservoir buffer (5mM S-hexyl-glutathione, 0.1M TrisHCl, pH 7.5, 10 mM DTT, 15% PEG 4000) was left to equilibrate in a sealed 24 plate well with 1 mL of reservoir buffer. Crystals were grown for 3 days before harvesting, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
