6TCU

Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1

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	2019-09-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00004527943
Spacegroup name	C 2 2 21
Unit cell lengths	84.783, 107.851, 104.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.650 - 2.140
R-factor	0.204
Rwork	0.202
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.497
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.650	2.390
High resolution limit [Å]	2.140	2.140
Rmerge	0.035	0.443
Number of reflections	26305	7373
<I/σ(I)>	20.08	3.52
Completeness [%]	98.5	99.3
Redundancy	4.3	4.3
CC(1/2)	1.000	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	18% (w/v) PEG8000 0.13 M NaCl 0.1 M Tris Acetate pH 8.0