4ACG

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	81.976, 83.881, 177.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.600
R-factor	0.1767
Rwork	0.175
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.140
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	2.750
High resolution limit [Å]	2.600	2.600
Rmerge	0.120	0.540
Number of reflections	38081
<I/σ(I)>	14.3	2.3
Completeness [%]	99.0	94.2
Redundancy	6.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1