8H4V

Mincle CRD complex with PGL trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2022-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9800
Spacegroup name	P 31 1 2
Unit cell lengths	75.298, 75.298, 111.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.350 - 2.400
R-factor	0.2578
Rwork	0.256
R-free	0.28860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zrw
RMSD bond length	0.005
RMSD bond angle	0.786
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.360	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.123	4.059
Rpim	0.021	0.627
Number of reflections	14310	14310
<I/σ(I)>	18	1.5
Completeness [%]	100.0	100
Redundancy	40.2	42.6
CC(1/2)	0.993	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M imidazole (pH 7.5), 0.2M sodium acetate trihydrate, 10%(w/v) PEG 8000