1TDI
Crystal Structure of hGSTA3-3 in Complex with Glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-12-12 |
| Detector | MAC Science DIP-2020 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.985, 95.588, 114.039 |
| Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
| Resolution | 29.750 - 2.400 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1guh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.114 | 0.355 |
| Number of reflections | 74040 | |
| <I/σ(I)> | 9.12 | 2.94 |
| Completeness [%] | 94.7 | 9.9 |
| Redundancy | 2.38 | 2.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 288 | PEG 6000, Na-HEPES, pH 8.0, VAPOR DIFFUSION, temperature 288K |
