3N9J
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-05 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.806, 89.994, 68.870 |
| Unit cell angles | 90.00, 98.24, 90.00 |
Refinement procedure
| Resolution | 20.280 - 1.850 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21800 |
| Structure solution method | Difference Fourier |
| Starting model (for MR) | 5gss |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.554 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.280 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.060 | 0.400 |
| Total number of observations | 20314 | |
| Number of reflections | 39483 | |
| <I/σ(I)> | 16.9 | 1.9 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100mM MES, pH 5.5, pH 6.0, 28% (w/v) PEG 8000, 20mM CaCl2 10mM DTT, 3mM EACPT, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
