1K3Y
Crystal Structure Analysis of human Glutathione S-transferase with S-hexyl glutatione and glycerol at 1.3 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-06-27 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.380, 93.770, 51.627 |
Unit cell angles | 90.00, 93.39, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.300 |
R-factor | 0.137 |
Rwork | 0.137 |
R-free | 0.20500 |
Starting model (for MR) | 1GSE [NO LIGAND OR WATER] |
RMSD bond length | 0.013 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.030 | 0.364 |
Number of reflections | 109989 | |
Completeness [%] | 94.8 | 68.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 15% PEG2000, 0.1M Tris-Cl 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 100K |