6I2H

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190

Replaces:  6EME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.88559
Spacegroup name	P 21 21 21
Unit cell lengths	58.470, 71.698, 109.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.313 - 1.680
R-factor	0.182
Rwork	0.181
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.020
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]	45.313	1.780
High resolution limit [Å]	1.680	1.680
Number of reflections	53307	8418
<I/σ(I)>	15.16	3.05
Completeness [%]	99.9	99.2
Redundancy	7.39	7.28
CC(1/2)	0.999	0.898

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, 0.7 mM peptidic ligand, 5 mM RKp190, 20% v/v methanol/water in reservoir