6YPS

Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	51.736, 71.316, 97.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.750 - 1.350
R-factor	0.1448
Rwork	0.144
R-free	0.15700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.750	1.430
High resolution limit [Å]	1.348	1.350
Number of reflections	78185	12184
<I/σ(I)>	22.58	3.53
Completeness [%]	97.5
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume