2JDT

Structure of PKA-PKB chimera complexed with ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	72.863, 75.563, 80.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.880 - 2.150
R-factor	0.203
Rwork	0.200
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yds
RMSD bond length	0.013
RMSD bond angle	1.342
Refinement software	REFMAC (5.2.0019F)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.900	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.080	0.360
Number of reflections	23262
<I/σ(I)>	8.5	2.6
Completeness [%]	99.0	100
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1