8DGP

14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide

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	PIXEL
Collection date	2020-03-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 41
Unit cell lengths	155.532, 155.532, 58.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.180 - 2.700
R-factor	0.1898
Rwork	0.187
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2br9
RMSD bond length	0.006
RMSD bond angle	0.771
Data reduction software	XDS (20161205)
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.180	2.860
High resolution limit [Å]	2.690	2.690
Rmerge	0.256	1.786
Rmeas	0.266	1.854
Number of reflections	38786	82902
<I/σ(I)>	9.71
Completeness [%]	99.6	97.7
Redundancy	13.9	13.6
CC(1/2)	0.996	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.35	293	2M ammonium sulfate, 0.1 M sodium bicine pH 9.35, 5% (v/v) 2-methyl-2,4,-pentandiol (MPD)