9FR8

Crystal structure of human GSK3B in complex with ARN25565

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	82.570, 85.440, 178.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.050 - 2.300
R-factor	0.1907
Rwork	0.189
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u36
RMSD bond length	0.008
RMSD bond angle	0.923
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]	89.175	2.325
High resolution limit [Å]	2.286	2.286
Rpim	0.290	0.362
Number of reflections	57878	2849
<I/σ(I)>	17.8
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.999	0.898

Crystallization Conditions

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