5ISO

STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-29
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	75.420, 129.390, 139.280
Unit cell angles	90.00, 92.73, 90.00

Refinement procedure

Resolution	19.974 - 2.630
R-factor	0.1804
Rwork	0.178
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cfe
RMSD bond length	0.006
RMSD bond angle	0.847
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	47.370
High resolution limit [Å]	2.630
Number of reflections	78641
<I/σ(I)>	14.6
Completeness [%]	99.9
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	12% PEG3350, 300 mM Guanidine in 100mM PIPES buffer at pH 7.2.