6YGJ

small-molecule stabilizer of 14-3-3 and the Carbohydrate Response Element Binding Protein (ChREBP) protein-protein interaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	98.787, 76.686, 90.289
Unit cell angles	90.00, 119.22, 90.00

Refinement procedure

Resolution	57.300 - 2.070
R-factor	0.2237
Rwork	0.221
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f74
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]	57.300	2.140
High resolution limit [Å]	2.070	2.070
Number of reflections	35961	3582
<I/σ(I)>	14.8
Completeness [%]	99.9
Redundancy	50.51
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1M HEPES (pH 7.1), 30% MPD, 1% PEG 4000, 0.1 M Ni(II)Cl 6H2O