6HN2

Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-07
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	82.056, 112.364, 62.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.134 - 1.700
R-factor	0.1799
Rwork	0.178
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.270	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.066	0.197
Rmeas	0.074	0.221
Number of reflections	30678	1530
<I/σ(I)>	17.3	7.6
Completeness [%]	95.8	92.1
Redundancy	4.9	4.8
CC(1/2)	0.997	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	278	0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG 400