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) |
