9RED

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F188

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	51.425, 71.198, 97.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.180 - 1.310
R-factor	0.1558
Rwork	0.155
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.334
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]	45.500	1.330
High resolution limit [Å]	1.310	1.310
Rmerge	0.063	1.008
Number of reflections	86264	4398
<I/σ(I)>	10.8	1.5
Completeness [%]	99.4	99.8
Redundancy	5.9	5.8
CC(1/2)	0.997	0.625

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