8HB5

Crystal structure of Mincle in complex with HD-275

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2022-06-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0344
Spacegroup name	P 31 2 1
Unit cell lengths	97.515, 97.515, 46.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.760 - 2.600
R-factor	0.2977
Rwork	0.296
R-free	0.33560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zrw
RMSD bond length	0.002
RMSD bond angle	0.527
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.760	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.379	3.705
Rpim	0.054	0.530
Number of reflections	8053	8053
<I/σ(I)>	14.1
Completeness [%]	100.0	100
Redundancy	50.3	50.5
CC(1/2)	0.997	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M immidazole (pH 8.0), 0.2M sodium acetate trihydrate, 10% PEG8,000
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M immidazole (pH 8.0), 0.2M sodium acetate trihydrate, 10% PEG8,000