6C9G

AMP-activated protein kinase bound to pharmacological activator R739

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	122.986, 122.986, 406.048
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.556 - 2.700
R-factor	0.2049
Rwork	0.202
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rer
RMSD bond length	0.006
RMSD bond angle	0.954
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.780
High resolution limit [Å]	2.700	2.700
Rmerge	0.181	0.024
Number of reflections	51131	4351
<I/σ(I)>	18.7
Completeness [%]	100.0
Redundancy	28.3
CC(1/2)	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M tri-sodium acetate pH 5.6, 0.2 M ammonium acetate, 15% w/v PEG 4000