4W4X

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-01-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	52.500, 71.440, 107.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 2.650
R-factor	0.1968
Rwork	0.192
R-free	0.28380
RMSD bond length	0.010
RMSD bond angle	1.220
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.190
High resolution limit [Å]	2.650

Crystallization Conditions

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