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 |