9HUL

Crystal structure of human GSK3b in complex with ARN25423

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	2021-08-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	82.440, 85.860, 178.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.510 - 2.900
R-factor	0.2179
Rwork	0.216
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.514
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]	44.510	3.004
High resolution limit [Å]	2.900	2.900
Number of reflections	28645	2745
<I/σ(I)>	17.65
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.997	0.805

Crystallization Conditions

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