3ZDI

Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Inhibitor 7d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	73.147, 76.157, 86.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.046 - 2.645
R-factor	0.2036
Rwork	0.201
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o9u
RMSD bond length	0.003
RMSD bond angle	0.750
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.050	2.800
High resolution limit [Å]	2.640	2.640
Rmerge	0.070	0.860
Number of reflections	14488
<I/σ(I)>	18	2.3
Completeness [%]	98.8	97
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M 2-(N-MORPHOLINO)ETHANESULFONIC ACID (MES), PH 6.5, 12% (W/V) PEG 20000