2UW3

Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	72.789, 74.490, 79.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.590 - 2.190
R-factor	0.191
Rwork	0.187
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.358
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.600	2.310
High resolution limit [Å]	2.190	2.190
Rmerge	0.060	0.360
Number of reflections	21335
<I/σ(I)>	11.6	2.1
Completeness [%]	98.7	95.8
Redundancy	2.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1