2AB6
HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18) complexed with S-METHYLGLUTATHIONE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 2004-10-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.120, 76.716, 212.449 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.23029 |
Rwork | 0.229 |
R-free | 0.27961 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gtu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.226 |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.134 | 0.330 |
Number of reflections | 28327 | |
<I/σ(I)> | 3 | 1.6 |
Completeness [%] | 86.5 | 73.1 |
Redundancy | 11.7 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 20% PEG 4000, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 290K |