2VNY

Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	CCD
Detector	RIGAKU CCD
Spacegroup name	P 21 21 21
Unit cell lengths	72.859, 74.783, 79.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.700 - 1.960
R-factor	0.226
Rwork	0.223
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.333
Refinement software	REFMAC (5.2.0019I)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.070	0.340
Number of reflections	29826
<I/σ(I)>		2.3
Completeness [%]	98.2	93
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1