2UW8

Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	72.318, 74.575, 80.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.620 - 2.000
R-factor	0.188
Rwork	0.185
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.025
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.600	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.320
Number of reflections	27851
<I/σ(I)>	9.9	2.3
Completeness [%]	98.5	98
Redundancy	2.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1