1XW6
1.9 angstrom resolution structure of human glutathione S-transferase M1A-1A complexed 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 | 2001-03-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.970, 84.380, 212.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gtu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.082 | 0.350 |
| Number of reflections | 78917 | |
| <I/σ(I)> | 7.7 | 2.1 |
| Completeness [%] | 98.3 | 92.1 |
| Redundancy | 14.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 280 | 20% PEG4000, pH 6.50, VAPOR DIFFUSION, temperature 280K |
