6C9J

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	2016-11-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	123.296, 123.296, 404.921
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.646 - 3.050
R-factor	0.2151
Rwork	0.214
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rer
RMSD bond length	0.004
RMSD bond angle	0.782
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	3.220
High resolution limit [Å]	3.050	3.050
Rmerge	0.807	0.090
Number of reflections	32841
<I/σ(I)>	10
Completeness [%]	91.1
Redundancy	34.4
CC(1/2)	0.997	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M tri-ammonium citrate pH7, 12% w/v PEG 3350