2UW5

Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	72.237, 74.065, 79.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.450 - 2.140
R-factor	0.207
Rwork	0.204
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.941
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.400	2.260
High resolution limit [Å]	2.140	2.140
Rmerge	0.090	0.350
Number of reflections	22458
<I/σ(I)>	7.5	2.1
Completeness [%]	99.8	99.4
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1