9REE

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F189

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	2017-10-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	51.537, 71.168, 97.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.050 - 1.340
R-factor	0.1567
Rwork	0.156
R-free	0.16650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.103
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]	45.560	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.074	0.865
Number of reflections	80192	3671
<I/σ(I)>	11.8	1.5
Completeness [%]	98.9	92.7
Redundancy	5.8	4.9
CC(1/2)	0.995	0.643

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