6MM7

Catalytic subunit of cAMP-dependent protein kinase A in complex with RyR2 K2879A, S2813D phosphomimetic (2699-2904) crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1 2 1
Unit cell lengths	58.337, 67.560, 176.852
Unit cell angles	90.00, 90.73, 90.00

Refinement procedure

Resolution	33.800 - 1.850
R-factor	0.2134
Rwork	0.212
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mm6
RMSD bond length	0.007
RMSD bond angle	1.376
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	1.890
High resolution limit [Å]	1.850	4.560	1.850
Rmerge	0.066	0.043	0.793
Rmeas	0.071	0.047	0.859
Rpim	0.027	0.017	0.326
Total number of observations	698657
Number of reflections	111231	8082	7214
<I/σ(I)>	11.3
Completeness [%]	94.4	99.8	91.8
Redundancy	6.3	7.3	6.4
CC(1/2)		0.998	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M magnesium formate and 25% (w/v) PEG 3350; 0.05 M HEPES, and 25% ethylene glycol