9REL

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F283

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	52.492, 72.284, 98.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.680 - 1.420
R-factor	0.1579
Rwork	0.157
R-free	0.17730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.427
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.350	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.063	1.056
Number of reflections	71553	3482
<I/σ(I)>	11.7	1.2
Completeness [%]	99.9	100
Redundancy	5.9	6.1
CC(1/2)	0.997	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir