8UKP

cAMP-dependent protein kinase A catalytic domain in complex with voltage gated calcium channel peptide ternary complex 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 41 21 2
Unit cell lengths	118.630, 118.630, 57.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.800 - 2.850
R-factor	0.2418
Rwork	0.240
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.475
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20rc1_4392)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.920
High resolution limit [Å]	2.850	7.010	2.850
Rmerge	0.098	0.029	4.003
Rmeas	0.102	0.031	4.153
Rpim	0.028	0.009	1.093
Total number of observations	135235
Number of reflections	9956	753	633
<I/σ(I)>	7.6
Completeness [%]	100.0	99.9	100
Redundancy	13.6	11.7	14.1
CC(1/2)	0.997	0.998	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277.15	0.1M HEPES pH 7.0, 18% w/v PEG 12K