6MM8

Catalytic subunit of cAMP-dependent protein kinase A in complex with RyR2 K2879A, S2813D phosphomimetic (2699-2904) crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	179.643, 67.860, 58.529
Unit cell angles	90.00, 92.22, 90.00

Refinement procedure

Resolution	33.950 - 1.850
R-factor	0.1828
Rwork	0.181
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mm7
RMSD bond length	0.010
RMSD bond angle	1.467
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.900
High resolution limit [Å]	1.850	4.230	1.850
Rmerge	0.063	0.039	0.578
Rmeas	0.074	0.046	0.714
Rpim	0.038	0.023	0.409
Total number of observations	219079
Number of reflections	58151	5034	4089
<I/σ(I)>	6.5
Completeness [%]	96.6	98.2	81.7
Redundancy	3.8	3.8	2.9
CC(1/2)		0.995	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.15 M HEPES pH 7.5, 15% (w/v) PEG 20k, and 25% (v/v) ethylene glycol