5HLN

X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 65
Unit cell lengths	163.521, 163.521, 84.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.280 - 3.100
R-factor	0.1731
Rwork	0.170
R-free	0.23600
RMSD bond length	0.012
RMSD bond angle	1.714
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall
Low resolution limit [Å]	39.280
High resolution limit [Å]	3.100
Number of reflections	22259
<I/σ(I)>	15.8
Completeness [%]	1.0
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	14% (W/V) PEG 8000, 100 mM MES, pH 6.0 and 100 mM magnesium acetate