1BYE
GLUTATHIONE S-TRANSFERASE I FROM MAIS IN COMPLEX WITH ATRAZINE GLUTATHIONE CONJUGATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 300 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 169.610, 60.280, 121.430 |
| Unit cell angles | 90.00, 126.22, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| Rwork | 0.221 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1axd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 3.610 |
| Data reduction software | MOSFLM |
| Data scaling software | Agrovata |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.000 | |
| High resolution limit [Å] | 2.800 | |
| Rmerge | 0.100 | 0.483 * |
| Number of reflections | 22535 | |
| Completeness [%] | 89.6 | 84.9 * |
| Redundancy | 2.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | atrazine-GSH conjugate | 5 (mM) | |
| 3 | 1 | reservoir | MES | 0.1 (M) | |
| 4 | 1 | reservoir | PEG4000 | 20-25 (%(w/v)) |
