9X2Y

GSK3beta complexed with BiS-8

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 2 21
Unit cell lengths	88.880, 92.280, 120.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.810 - 1.960
R-factor	0.1825
Rwork	0.182
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.861
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.810	2.010
High resolution limit [Å]	1.960	1.960
Number of reflections	137241	9812
<I/σ(I)>	5.4
Completeness [%]	99.4
Redundancy	14.8
CC(1/2)	0.994	0.339

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M sodium malonate pH 7.0, 20% PEG 3350