8DGM

14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) 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	91.423, 91.423, 139.872
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.710 - 3.200
R-factor	0.2134
Rwork	0.207
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2br9
RMSD bond length	0.009
RMSD bond angle	1.164
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	Inner shell	Outer shell
Low resolution limit [Å]	45.710	3.620	3.390
High resolution limit [Å]	3.200	3.390	3.200
Rmerge	0.105	0.768	1.457
Rmeas	0.106	0.789	1.495
Number of reflections	6156	17743	948
<I/σ(I)>	20.2	4.34	2.13
Completeness [%]	99.8	100	99.2
Redundancy	18.8	19.6	19.4
CC(1/2)	1.000	0.909	0.744

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