2UZT

PKA structures of AKT, indazole-pyridine 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	59.165, 78.262, 100.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.2734
Rwork	0.273
R-free	0.31300
Structure solution method	OTHER
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.040
Number of reflections	28058
<I/σ(I)>	19
Completeness [%]	88.0
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1