6EM2

Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil

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	2017-08-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	52.270, 71.967, 97.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.118 - 1.300
R-factor	0.1334
Rwork	0.132
R-free	0.15250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.156
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.118	1.380
High resolution limit [Å]	1.300	1.300
Number of reflections	91364	14333
<I/σ(I)>	19	3.05
Completeness [%]	99.4	97.5
Redundancy	5.05	4.8
CC(1/2)	0.999	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277.15	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