2WAJ
Crystal structure of human Jnk3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.659, 71.339, 107.541 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.187 |
| Rwork | 0.183 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o0u |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.405 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.710 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.450 |
| Number of reflections | 15942 | |
| <I/σ(I)> | 13.1 | 3.7 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 18% PEG3350, 0.1M SODIUM HEPES PH7.5 |
