1GNG

Glycogen synthase kinase-3 beta (GSK3) complex with FRATtide peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Collection date	2000-04-15
Spacegroup name	H 3 2
Unit cell lengths	153.050, 153.050, 213.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.000 - 2.600
R-factor	0.196
Rwork	0.196
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2erk
RMSD bond length	0.007
RMSD bond angle	22.400 *
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.066	0.448
Total number of observations	333047 *
Number of reflections	29716
<I/σ(I)>		5
Completeness [%]	99.9 *	100
Redundancy	11.2	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.2 *	277 *	1.6M AMMONIUM SULPHATE, 0.1M TRIS PH7.5, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	reservoir	Tris-acetate	100 (mM)	pH8.2
3	1	reservoir		125 (mM)
4	1	reservoir	PEG8000	6-14 (%)