9RSF

Macaque CD1d with lipid antigen bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	87.061, 87.061, 232.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.076 - 1.830
Rwork	0.171
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS (3.21)
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	Servalcat (0.4.113)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.080	1.860
High resolution limit [Å]	1.830	1.830
Rmeas	0.056	0.486
Rpim	0.013	0.179
Number of reflections	89434	25554
<I/σ(I)>	32.7	2.1
Completeness [%]	98.2	84.73
Redundancy	17.1	6.7
CC(1/2)	1.000	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	10% w/v PEG 8000, 20% v/v ethylene glycol 0.03 M, 0.1 M MES/imidazole pH 6.5