9FR7

Crystal structure of human GSK3B in complex with ARN25507

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	82.320, 85.250, 178.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.200 - 2.300
R-factor	0.1988
Rwork	0.197
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.509
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]	76.921	2.275
High resolution limit [Å]	2.237	2.300
Rpim	0.026	0.390
Number of reflections	61399	3017
<I/σ(I)>	21.7
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.999	0.869

Crystallization Conditions

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