6YE9

Small-molecule inhibitor of 14-3-3 protein-protein interactions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-22
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	C 2 2 21
Unit cell lengths	82.836, 112.795, 62.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.560 - 1.800
R-factor	0.1771
Rwork	0.175
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dht
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.560	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	27479	1292
<I/σ(I)>	9.7
Completeness [%]	99.7
Redundancy	6.1
CC(1/2)	0.996	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M HEPES Na (pH 7.1), 27% (v/v) PEG 400, 0.19 M CaCL2, 5% (v/v) Glycerol