9RET

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F322

This is a non-PDB format compatible entry.

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	2017-11-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	52.468, 72.252, 98.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.940 - 1.750
R-factor	0.1929
Rwork	0.191
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.358
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]	46.360	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.062	0.995
Number of reflections	38665	2065
<I/σ(I)>	11.6	1.3
Completeness [%]	99.9	99.9
Redundancy	5.8	5.1
CC(1/2)	0.997	0.615

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