2JDO

STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE

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	45.262, 60.700, 132.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.190 - 1.800
R-factor	0.177
Rwork	0.175
R-free	0.21000
Structure solution method	OTHER
RMSD bond length	0.008
RMSD bond angle	1.096
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	55.000
High resolution limit [Å]	1.800
Rmerge	0.060
Number of reflections	31145
<I/σ(I)>	6.4
Completeness [%]	95.0
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1