8UKN

APO and AMP-PNP bound cAMP-dependent protein kinase A catalytic domain

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	2023-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	61.818, 139.828, 107.414
Unit cell angles	90.00, 102.78, 90.00

Refinement procedure

Resolution	34.960 - 2.750
R-factor	0.1971
Rwork	0.195
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.627
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	2.810
High resolution limit [Å]	2.750	6.770	2.750
Rmerge	0.076	0.039	0.462
Rmeas	0.089	0.046	0.553
Rpim	0.045	0.023	0.297
Number of reflections	44968	3092	2631
<I/σ(I)>	8.3
Completeness [%]	97.2	97.8	85.1
Redundancy	3.7	3.7	3.3
CC(1/2)		0.997	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.115	0.1 M HEPES pH 7.5, 10% (w/v) PEG 8000