9REK

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F274

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	52.209, 71.009, 97.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.480 - 1.380
R-factor	0.1587
Rwork	0.157
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.328
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]	46.070	1.400
High resolution limit [Å]	1.380	1.380
Rmerge	0.044	1.081
Number of reflections	75246	3709
<I/σ(I)>	14.2	1.5
Completeness [%]	99.6	99.9
Redundancy	5.9	6.1
CC(1/2)	0.999	0.662

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