1I09

STRUCTURE OF GLYCOGEN SYNTHASE KINASE-3 (GSK3B)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 21 21 21
Unit cell lengths	83.272, 86.725, 177.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 2.700
R-factor	0.237 *
Rwork	0.242
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	1.500 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.070	0.320 *
Total number of observations	251279 *
Number of reflections	34993 *
<I/σ(I)>	19
Completeness [%]	98.9 *	99.8
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.1	277	PEG 3350 Na/K Phosphate DTT, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG3350	15 (%(v/v))
3	1	reservoir	sodium potassium phosphate	50 (mM)	pH4.1
4	1	reservoir	dithiothreitol	10 (mM)