6EM6

Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and ADP

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	2016-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	70.439, 73.162, 77.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.376 - 1.640
R-factor	0.1752
Rwork	0.174
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.977
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]	42.376	1.740
High resolution limit [Å]	1.640	1.640
Number of reflections	49359	7680
<I/σ(I)>	23.98	3.6
Completeness [%]	99.1	97.5
Redundancy	5.86	5.8
CC(1/2)	1.000	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277.15	100 mM Mes-Bis-Tris, 55 mM lithium chloride, 10 mM magnesium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 2 mM ADP, 16% v/v methanol/water in reservoir