5N3B

cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(pyridin-3-yl)ethanamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	58.863, 108.775, 72.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.740 - 1.640
R-factor	0.1685
Rwork	0.167
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wih
RMSD bond length	0.009
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.640	1.640
Rmeas	0.063	0.574
Number of reflections	57234	8697
<I/σ(I)>	18.31	3.31
Completeness [%]	98.4	93.88
Redundancy	6.66	6.84
CC(1/2)	0.990	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	MES-BIS-TRIS Mega8-Solution DTT EDTA LiCl Methanol