4W4V

JNK2/3 in complex with 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	52.023, 71.325, 107.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.760 - 2.010
R-factor	0.196
Rwork	0.194
R-free	0.23410
RMSD bond length	0.010
RMSD bond angle	1.160
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	21.760
High resolution limit [Å]	2.010

Crystallization Conditions

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