6B1U

Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4

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	2015-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	75.827, 133.897, 141.725
Unit cell angles	90.00, 92.74, 90.00

Refinement procedure

Resolution	48.640 - 2.770
R-factor	0.196
Rwork	0.194
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zhx
RMSD bond length	0.008
RMSD bond angle	1.010
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]	48.640	2.830
High resolution limit [Å]	2.770	2.770
Rmerge	0.074	0.632
Rpim	0.048	0.412
Number of reflections	71788	4646
<I/σ(I)>	10.5	2.1
Completeness [%]	99.8	100
Redundancy	3.3	3.3
CC(1/2)	0.996	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	277	8% PEG 3350, 0.1 M MgCl2, 1.0% glucose, 0.001% cocamidopropyl betaine and 0.1 M imidazole.