9REJ

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F264

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	51.862, 71.568, 97.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 1.400
R-factor	0.1436
Rwork	0.142
R-free	0.16990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.405
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]	45.800	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.045	0.598
Number of reflections	71937	3632
<I/σ(I)>	17.4	2.6
Completeness [%]	99.7	99.8
Redundancy	5.9	5.9
CC(1/2)	0.999	0.820

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