9HV3

Crystal structure of human GSK3b in complex with ARN25657

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	2022-02-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	82.474, 85.620, 178.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.550 - 2.900
R-factor	0.2083
Rwork	0.206
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u36
RMSD bond length	0.009
RMSD bond angle	0.994
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]	60.550	3.004
High resolution limit [Å]	2.900	2.900
Number of reflections	28728	2815
<I/σ(I)>	17.4
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.924

Crystallization Conditions

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