2UW7

Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	72.940, 75.190, 80.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.430 - 2.100
R-factor	0.239
Rwork	0.235
R-free	0.31800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.081
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.400	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.320
Number of reflections	24584
<I/σ(I)>	8.4	2.7
Completeness [%]	98.3	97.9
Redundancy	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1