4ACH

GSK3b in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	173
Spacegroup name	P 21 21 21
Unit cell lengths	83.949, 85.167, 178.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 2.600
R-factor	0.2313
Rwork	0.230
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.150	0.780
Number of reflections	38939
<I/σ(I)>	5.4	1.1
Completeness [%]	97.6	99.5
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1