1AQV
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 1996-07-28 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 80.660, 90.070, 69.570 |
Unit cell angles | 90.00, 99.19, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.940 |
R-factor | 0.194 |
Rwork | 0.194 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 23.040 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((AGROVATA) |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.800 | 1.990 |
High resolution limit [Å] | 1.940 | 1.939 |
Rmerge | 0.073 | 0.242 |
Total number of observations | 91365 * | |
Number of reflections | 34247 | |
<I/σ(I)> | 15 | 3 |
Completeness [%] | 94.3 | 88 |
Redundancy | 2.67 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.5 | 20 * | pH 6.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 13.3 (mg/ml) | 0.004ml |
2 | 1 | drop | PEG8000 | 10 (%) | |
3 | 1 | drop | Mes-NaOH | 33.3 (mM) | |
4 | 1 | drop | ligand | 5 (mM) | |
5 | 1 | reservoir | PEG8000 | 30 (%) | |
6 | 1 | reservoir | Mes=NaOH | 100 (mM) | |
7 | 1 | reservoir | 200 (mM) | ||
8 | 1 | drop | 66.7 (mM) |