8DGN

14-3-3 epsilon bound to phosphorylated PEAK2 (pS826) 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	2020-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 62 2 2
Unit cell lengths	92.131, 92.131, 137.439
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.070 - 3.160
R-factor	0.2471
Rwork	0.242
R-free	0.29490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2br9
RMSD bond length	0.003
RMSD bond angle	0.528
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]	46.070	3.350
High resolution limit [Å]	3.160	3.160
Rmerge	0.013	1.518
Rmeas	0.013	1.558
Number of reflections	6353	975
<I/σ(I)>	18.97	2.27
Completeness [%]	99.6	98.1
Redundancy	18.9	20.5
CC(1/2)	1.000	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.8 M ammonium sulfate, 0.1 M HEPES pH 7.5, 5% (v/v) MPD