3G9N

JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	50.313, 72.176, 107.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.000 - 2.800
R-factor	0.23
Rwork	0.226
R-free	0.32600
RMSD bond length	0.010
RMSD bond angle	1.294
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.870	55.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.098	0.066	0.287
Number of reflections	9652
<I/σ(I)>	8.501
Completeness [%]	82.4	81.1	75.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	18-20% (v/v) polyethylene glycol monomethyl ether (average Mr = 550), 10% (v/v) ethylene glycol, 20 mM beta-mercaptoethanol, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K