2JDS

Structure of cAMP-dependent protein kinase complexed with A-443654

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	72.538, 75.061, 80.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.270 - 2.000
R-factor	0.211
Rwork	0.208
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yds
RMSD bond length	0.013
RMSD bond angle	1.334
Refinement software	REFMAC (5.2.0019C)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.400
Number of reflections	28286
<I/σ(I)>	9.2	1.8
Completeness [%]	99.0	95
Redundancy	3.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1