8B5P

Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.470, 111.844, 62.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.510 - 1.400
R-factor	0.1711
Rwork	0.170
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6y1d
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.510	1.430
High resolution limit [Å]	1.400	1.400
Number of reflections	56735	2790
<I/σ(I)>	33.6	7.7
Completeness [%]	99.5
Redundancy	13.4
CC(1/2)	1.000	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol