4QFR

Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 61 2 2
Unit cell lengths	124.620, 124.620, 402.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.850 - 3.340
R-factor	0.212
Rwork	0.210
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.340
Rmerge	0.115
Number of reflections	27060

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	750 mM Ammonium Sulfate, 500 mM Lithium Sulfate, 100 mM tri-Sodium Citrate, 1% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 295K