1YJ6
crystal structure of human glutathione S-transferase M1A-1A complexed with glutathionyl-zinc-trihydroxide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-11-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 178.640, 51.410, 93.820 |
| Unit cell angles | 90.00, 122.47, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.23 |
| Rwork | 0.230 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gtu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP ((CCP4)) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.068 | 0.315 |
| Number of reflections | 23285 | |
| <I/σ(I)> | 7.7 | 1.8 |
| Completeness [%] | 91.4 | 61.2 |
| Redundancy | 11.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 280 | PEG4000, GSH, Zinc chloride, pH 6.00, VAPOR DIFFUSION, temperature 280K |
