1XWK
2.3 angstrom resolution crystal structure of human glutathione S-transferase M1A-1A complexed with glutathionyl-S-dinitrobenzene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-03-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 175.830, 51.940, 93.840 |
| Unit cell angles | 90.00, 121.08, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.243 |
| Rwork | 0.243 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gtu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 ((MOLREP)) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.269 |
| Number of reflections | 27431 | |
| <I/σ(I)> | 10.8 | 2.3 |
| Completeness [%] | 83.7 | 47.2 |
| Redundancy | 15.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 280 | 20% PEG4000, pH 6.00, VAPOR DIFFUSION, temperature 280K |
