8DVM

Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-06-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	66.462, 102.978, 108.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.540 - 2.000
R-factor	0.1879
Rwork	0.186
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a0p
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20rc3-4406_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.540	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	50517	4407
<I/σ(I)>	15.68
Completeness [%]	98.7	87.33
Redundancy	6.7	6.7
CC(1/2)	0.999	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	100 mM MES pH 6.3, 12% PEG 20K