2VO0

Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine

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	73.366, 73.891, 79.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.120 - 1.940
R-factor	0.165
Rwork	0.162
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.337
Refinement software	REFMAC (5.2.0019I)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.040	0.100
Number of reflections	30046
<I/σ(I)>		6.5
Completeness [%]	96.4	87.4
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1