7OPW

Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ136

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	81.981, 110.495, 61.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.020 - 1.810
R-factor	0.1885
Rwork	0.186
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.009
RMSD bond angle	1.186
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]	41.020	1.850
High resolution limit [Å]	1.810	1.810
Rmerge	0.168	1.024
Number of reflections	25588	1491
<I/σ(I)>	4.4	1
Completeness [%]	99.5	99.2
Redundancy	4.4	4.4
CC(1/2)	0.976	0.506

Crystallization Conditions

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