7OQ8

Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ178

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-27
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	C 2 2 21
Unit cell lengths	82.018, 110.832, 60.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.930 - 1.430
R-factor	0.1807
Rwork	0.180
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.008
RMSD bond angle	1.202
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.930	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.058	0.896
Number of reflections	51452	2542
<I/σ(I)>	8.9	1
Completeness [%]	99.8	99.8
Redundancy	3.3	3.3
CC(1/2)	0.983	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.095 M Hepes pH7.5, 26%PEG 400, 0.19 M CaCl2, and 5 % Glycerol