2C1A

Structure of cAMP-dependent protein kinase 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	72.364, 75.097, 80.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.330 - 1.950
R-factor	0.176
Rwork	0.173
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yds
RMSD bond length	0.015
RMSD bond angle	1.420
Refinement software	REFMAC (5.1.29)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.050	0.230
Number of reflections	31729
<I/σ(I)>	11.2	3.2
Completeness [%]	98.0	88.8
Redundancy	2.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1