4W4Y
JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1270 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.295, 71.573, 107.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.750 - 2.300 |
R-factor | 0.1991 |
Rwork | 0.196 |
R-free | 0.25980 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 42.750 |
High resolution limit [Å] | 2.300 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | EG 3350, ammonium tartrate |