9FR5

Crystal structure of human GSK3B in complex with ARN25697

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 PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	82.370, 85.550, 178.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.780 - 2.300
R-factor	0.2037
Rwork	0.202
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.609
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]	61.783	2.125
High resolution limit [Å]	2.089	2.089
Rmerge	0.077
Rpim	0.022
Number of reflections	75560	3715
<I/σ(I)>	19.3
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.999	0.857

Crystallization Conditions

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