2UW9

STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-chloro-phenyl)-4-(4-(1H-pyrazol-4-yl)-phenyl)-piperidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	45.058, 61.046, 132.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.930 - 2.100
R-factor	0.226
Rwork	0.222
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.462
Refinement software	REFMAC (5.2.0019G)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.900	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.150	0.420
Number of reflections	20582
<I/σ(I)>	4.6	2.5
Completeness [%]	98.0	96.7
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1