9RDU

Crystal structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F001

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)	0.918400
Spacegroup name	P 21 21 21
Unit cell lengths	52.535, 71.709, 98.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.670 - 1.420
R-factor	0.1581
Rwork	0.157
R-free	0.16960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.383
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]	46.370	1.450
High resolution limit [Å]	1.420	1.420
Rmeas	0.069	0.984
Number of reflections	71067	3678
<I/σ(I)>	13.5	1.7
Completeness [%]	99.9	99.7
Redundancy	5.9	5.2
CC(1/2)	0.997	0.648

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