2UW4

Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 21
Unit cell lengths	72.341, 75.074, 79.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.320 - 2.000
R-factor	0.219
Rwork	0.216
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.038
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.300	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.120	0.360
Number of reflections	28339
<I/σ(I)>	4.2	1.7
Completeness [%]	97.1	91.4
Redundancy	2.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1