6XXC

Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 2 2 21
Unit cell lengths	82.316, 112.063, 62.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.032 - 1.300
R-factor	0.1649
Rwork	0.164
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p1n
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.340	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	71388	3483
<I/σ(I)>	14.2	3.1
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M HEPES (pH 7.3), 0.19 M CaCl2, 25% (v/v) PEG 400 and 5% (v/v) glycerol