29II

Structure of 14-3-3 epsilon in complex with a peptide derived from AMPK gamma 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 2 21
Unit cell lengths	85.073, 118.182, 65.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.044 - 2.170
Rwork	0.245
R-free	0.29640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	2.145
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.128))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.050	2.240
High resolution limit [Å]	2.169	2.170
Number of reflections	35775	3027
<I/σ(I)>	1.1
Completeness [%]	98.2	99
Redundancy	11.2
CC(1/2)	0.870	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20 % w/v Polyethylene glycol 3,350, 100 mM BIS-TRIS Propane pH6.5, 200 mM Sodium fluoride