7NL7

Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00001
Spacegroup name	P 3 2 1
Unit cell lengths	59.346, 59.346, 75.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.390 - 2.100
R-factor	0.1938
Rwork	0.193
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sl4
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.390	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.408	2.350
Rpim	0.094	0.530
Number of reflections	9333	906
<I/σ(I)>	5.1	1.9
Completeness [%]	99.9	100
Redundancy	19.5	20.2
CC(1/2)	0.987	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M MgCl2, 0.1M Hepes 7.5, 10% PEG4000