6ZN0

Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with isonicotinamidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.91840
Spacegroup name	P 21 21 21
Unit cell lengths	51.735, 71.215, 97.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.380 - 1.590
R-factor	0.1562
Rwork	0.155
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f14
RMSD bond length	0.005
RMSD bond angle	0.747
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]	45.702	1.680
High resolution limit [Å]	1.588	1.590
Number of reflections	49029	7675
<I/σ(I)>	16.4	4.24
Completeness [%]	99.2	97.3
Redundancy	6.8

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