9HUK

Crystal structure of human GSK3b in complex with ARN24161

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	2021-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	82.430, 85.000, 177.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.240 - 3.500
R-factor	0.2186
Rwork	0.217
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.540
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.240	3.625
High resolution limit [Å]	3.500	3.500
Number of reflections	16266	1549
<I/σ(I)>	19.1
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.972	0.647

Crystallization Conditions

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