2UW0

Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	73.293, 74.423, 79.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.220 - 2.000
R-factor	0.204
Rwork	0.201
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.992
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.200	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.290
Number of reflections	28197
<I/σ(I)>	6.4	2.8
Completeness [%]	98.4	95.1
Redundancy	2.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1