5KPM

Glycogen Synthase Kinase 3 beta Complexed with BRD3731

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	63.976, 67.489, 67.632
Unit cell angles	79.14, 76.72, 88.89

Refinement procedure

Resolution	50.000 - 2.690
R-factor	0.1782
Rwork	0.175
R-free	0.24010
RMSD bond length	0.014
RMSD bond angle	1.760
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.780
High resolution limit [Å]	2.680	5.770	2.680
Rmerge	0.058	0.031	0.449
Total number of observations	58302
Number of reflections	29474
<I/σ(I)>	9.9
Completeness [%]	98.5	98.6	98.2
Redundancy	2	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Reservoir: 0.2 M sodium acetate, pH 7.0, 20% w/v PEG3350