2OH0

Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	72.492, 74.854, 80.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.840 - 2.200
Rwork	0.273
R-free	0.32000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNX (2002)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.200	2.200
Number of reflections	22828
Completeness [%]	92.7	80.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP