9FR9

Crystal structure of human GSK3B in complex with ARN25699

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	82.460, 84.620, 178.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.070 - 2.550
R-factor	0.1972
Rwork	0.195
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u36
RMSD bond length	0.009
RMSD bond angle	1.014
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]	56.070	2.406
High resolution limit [Å]	2.365	2.365
Rpim	0.023	0.343
Number of reflections	51762	2565
<I/σ(I)>	17.7
Completeness [%]	99.9
Redundancy	13.2
CC(1/2)	0.999	0.910

Crystallization Conditions

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