12GS
GLUTATHIONE S-TRANSFERASE COMPLEXED WITH S-NONYL-GLUTATHIONE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-07-19 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.912, 89.427, 68.945 |
Unit cell angles | 90.00, 97.47, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.100 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.26200 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gss |
RMSD bond length | 0.007 * |
RMSD bond angle | 24.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.063 * | 0.174 * |
Total number of observations | 37192 * | |
Number of reflections | 25528 * | |
<I/σ(I)> | 13.4 | 5.3 |
Completeness [%] | 93.0 * | 91 * |
Redundancy | 1.5 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 * | 22 * | Oakley, A.J., (1997) J.Mol.Biol., 274, 84. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | drop | phosphate | 10 (mM) | |
3 | 1 | drop | EDTA | 1 (mM) | |
4 | 1 | drop | mercaptoethanol | 2 (mM) | |
5 | 1 | reservoir | ammonium sulfate | 20-34 (%(w/v)) | |
6 | 1 | reservoir | dithiothreitol | 50-80 (mM) | |
7 | 1 | reservoir | MES | 100 (mM) |