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 |