2UZV

PKA structures of indazole-pyridine series of AKT inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	72.755, 74.748, 80.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 2.500
R-factor	0.251
Rwork	0.251
R-free	0.31600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.041
RMSD bond angle	2.000
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.100	0.340
Number of reflections	15594
<I/σ(I)>	10	5
Completeness [%]	95.8	91.8
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1