9FR6

Crystal structure of human GSK3B in complex with ARN25641

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	82.310, 85.260, 178.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.740 - 2.300
R-factor	0.2002
Rwork	0.199
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.742	2.219
High resolution limit [Å]	2.181	2.181
Rpim	0.026	0.423
Number of reflections	66122	3182
<I/σ(I)>	16
Completeness [%]	99.9
Redundancy	13
CC(1/2)	0.999	0.082

Crystallization Conditions

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