3G9L

JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-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	1999-06-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	50.366, 71.859, 107.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.200
R-factor	0.22226
Rwork	0.219
R-free	0.28459
RMSD bond length	0.010
RMSD bond angle	1.321
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]	30.000	30.000	2.260
High resolution limit [Å]	2.200	5.030	2.200
Rmerge	0.068	0.027	0.383
Number of reflections	19385
<I/σ(I)>	19.603
Completeness [%]	95.7	93.9	91.8

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 and 100 mM HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 298K