4W4W

JNK2/3 in complex with N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-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	52.360, 71.040, 107.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.560 - 1.900
R-factor	0.1931
Rwork	0.192
R-free	0.21900
RMSD bond length	0.010
RMSD bond angle	1.060
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	24.560
High resolution limit [Å]	1.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG 3350, ammonium tartrate