7U33

Crystal structure of human GSK3B in complex with ARN9133

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	82.640, 85.698, 178.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.360 - 2.600
R-factor	0.2331
Rwork	0.231
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i09
RMSD bond length	0.006
RMSD bond angle	1.425
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.360	2.710
High resolution limit [Å]	2.600	2.600
Number of reflections	39706	4411
<I/σ(I)>	9.4
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.997	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	PEG3350, Sodium Chloride, Hepes