2F3M
Structure of human GLUTATHIONE S-TRANSFERASE M1A-1A complexed with 1-(S-(GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXADIENATE ANION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-11-11 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.965, 93.096, 92.998 |
| Unit cell angles | 120.53, 106.19, 89.97 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.234 |
| Rwork | 0.233 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gtu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.170 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.800 |
| High resolution limit [Å] | 2.667 | 2.670 |
| Rmerge | 0.068 | 0.380 |
| Number of reflections | 38744 | |
| <I/σ(I)> | 7.8 | 1.7 |
| Completeness [%] | 97.1 | 95.1 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 280 | 20% PEG 4000, pH 6.00, VAPOR DIFFUSION, temperature 280K |
