5HE1

Human GRK2 in complex with Gbetagamma subunits and CCG224062

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	C 2 2 21
Unit cell lengths	62.023, 241.364, 212.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.150
R-factor	0.1718
Rwork	0.168
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.572
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.260
High resolution limit [Å]	3.200	8.620	3.200
Rmerge	0.146	0.052
Rmeas	0.158	0.056
Rpim	0.065	0.021	0.533
Total number of observations	197708
Number of reflections	27203
<I/σ(I)>	8.2
Completeness [%]	96.7	97.5	92.3
Redundancy	7.3	6.5	6.9
CC(1/2)		0.997	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	50 mM MES, 0.8-1.2 M sodium chloride, 8-16% PEG3350