1K3L
Crystal Structure Analysis of S-hexyl-glutathione Complex of Glutathione Transferase at 1.5 Angstroms Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-11-15 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.960, 93.994, 51.872 |
Unit cell angles | 90.00, 92.63, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.500 |
R-factor | 0.1654 |
Rwork | 0.158 |
R-free | 0.21900 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1GSE [LIGANDS AND WATER REMOVED] |
RMSD bond length | 0.009 |
RMSD bond angle | 0.029 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.048 | 0.440 * |
Number of reflections | 75496 | 7153 * |
Completeness [%] | 99.3 | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 18% PEG3350, 0.1 M Tris-Cl pH 7.5, 10mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG3350 | 18 (%) | |
3 | 1 | reservoir | Tris-Cl | 0.1 (M) | pH7.5 |
4 | 1 | reservoir | dithiothreitol | 10 (mM) |