6C9H

non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734

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	2016-09-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0782
Spacegroup name	P 61 2 2
Unit cell lengths	124.016, 124.016, 404.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.884 - 2.650
R-factor	0.2154
Rwork	0.213
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rer
RMSD bond length	0.003
RMSD bond angle	0.758
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.730
High resolution limit [Å]	2.650	2.650
Rmerge	0.571	0.716
Number of reflections	54649	4387
<I/σ(I)>	12.1
Completeness [%]	99.7
Redundancy	33.6
CC(1/2)	0.997	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M magnesium formate