7MYJ

Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.71073
Spacegroup name	P 1 21 1
Unit cell lengths	75.844, 134.199, 141.821
Unit cell angles	90.00, 92.55, 90.00

Refinement procedure

Resolution	48.720 - 2.950
R-factor	0.215
Rwork	0.213
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b1u
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	3.055
High resolution limit [Å]	2.950	2.950
Rmerge	0.053	0.370
Rmeas	0.075	0.523
Rpim	0.053	0.369
Number of reflections	59194	5846
<I/σ(I)>	10.7	2.2
Completeness [%]	98.9	97.82
Redundancy	2.4	2.2
CC(1/2)	0.995	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277.15	8-10% PEG3350, 1% glucose, 0.1 M magnesium chloride, 0.1 M imidazole, 0.0005-0.003% CAPB