4UJ2

Protein Kinase A in complex with an Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-19
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	71.813, 74.746, 79.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.331 - 2.019
R-factor	0.1652
Rwork	0.162
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vqh
RMSD bond length	0.008
RMSD bond angle	1.029
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.330	2.090
High resolution limit [Å]	2.020	2.020
Rmerge	0.050	0.670
Number of reflections	25822
<I/σ(I)>	18.33	2.07
Completeness [%]	90.2	90.9
Redundancy	4.01	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K