6GN1

Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91883
Spacegroup name	P 1 21 1
Unit cell lengths	67.630, 119.500, 67.480
Unit cell angles	90.00, 102.49, 90.00

Refinement procedure

Resolution	44.304 - 2.600
R-factor	0.2236
Rwork	0.222
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j1r
RMSD bond length	0.008
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.210	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.120	0.800
Rmeas	0.130	0.860
Number of reflections	32218	3475
<I/σ(I)>	11.99
Completeness [%]	99.9	100
Redundancy	6.8
CC(1/2)	0.996	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	reservoir 0,1 M HEPES pH 7.0, 22% v/v PEG 8000, 8% ethylenglycol, 5mg/ml GSK3B (in 25 mM TRIS, 250 mM NaCl, 10 % Glycerol, pH 8), 1ul reservoir + 1ul protein solution