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 |