2PGT
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-04 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.180, 90.540, 69.370 |
| Unit cell angles | 90.00, 98.45, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.900 |
| R-factor | 0.183 * |
| Rwork | 0.183 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1pgt |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.034 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | GPRLSA |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.059 | 0.287 |
| Number of reflections | 40456 | |
| <I/σ(I)> | 12.31 | 1.77 |
| Completeness [%] | 95.5 | 77.3 |
| Redundancy | 3.9 | 1.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | CRYSTALS WERE GROWN IN HANGING DROPS WHICH INITIALLY CONSISTED OF 5.9 MG/ML PROTEIN IN 0.1 M HEPES BUFFER (PH 7.0) CONTAINING 8.3 MM S-HEXYLGLUTATHIONE AND 1.0 M BUFFERED (PH 7.0) AMMONIUM SULFATE. THE DROPS WERE EQUILIBRATED AT 293 K AGAINST WELL SOLUTION CONTAINING BETWEEN 1.9 - 2.0 M AMMONIUM SULFATE IN 0.1 M HEPES BUFFER (PH 7.0)., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5.9 (mg/ml) | |
| 2 | 1 | drop | HEPES | 0.1 (M) | |
| 3 | 1 | drop | GSHex | 8.3 (mM) | |
| 4 | 1 | drop | ammonium sulfate | 1.0 (M) | |
| 5 | 1 | reservoir | ammonium sulfate | 1.9-2.0 (M) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) |
