4WB5

Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	73.178, 75.091, 80.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.589 - 1.641
R-factor	0.165
Rwork	0.163
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wb8
RMSD bond length	0.012
RMSD bond angle	1.372
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.641	4.480	1.641
Rmerge	0.056	0.032	0.846
Rmeas	0.062	0.035	0.953
Rpim	0.026	0.015	0.431
Total number of observations	294985
Number of reflections	54512
<I/σ(I)>	10.6
Completeness [%]	99.8	97.8	99.9
Redundancy	5.4	5.3	4.7
CC(1/2)		0.998	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	10% PEG 6000, 0.1M HEPES pH 7.5