2VNW

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

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	72.840, 74.545, 79.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.220 - 2.090
R-factor	0.179
Rwork	0.175
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.328
Refinement software	REFMAC (5.2.0019I)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.110
High resolution limit [Å]	2.090	2.090
Rmerge	0.040	0.150
Number of reflections	23214
<I/σ(I)>	4.7
Completeness [%]	93.4	86
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1