2UW6

Structure of PKA-PKB chimera complexed with (S)-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	72.959, 75.003, 79.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.050 - 2.230
R-factor	0.192
Rwork	0.190
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.139
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.350
High resolution limit [Å]	2.230	2.230
Rmerge	0.080	0.340
Number of reflections	20358
<I/σ(I)>	8.3	2.1
Completeness [%]	98.0	96.5
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1