2JDR

STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A-443654

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	44.927, 60.994, 124.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.810 - 2.300
R-factor	0.196
Rwork	0.193
R-free	0.25200
Structure solution method	OTHER
RMSD bond length	0.013
RMSD bond angle	1.382
Refinement software	REFMAC (5.2.0019F)

Data quality characteristics

	Overall
Low resolution limit [Å]	55.000
High resolution limit [Å]	2.300
Rmerge	0.080
Number of reflections	14109
<I/σ(I)>	6.5
Completeness [%]	95.0
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1