8SGB

Crystal Structure of CD1d-lipid complexed with Beta-2-Microglobulin, TCR Alpha-Chain and TCR Beta-Chain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 41
Unit cell lengths	136.785, 136.785, 69.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.361 - 2.800
R-factor	0.209745531039
Rwork	0.208
R-free	0.24942
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.850	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.229	0.862
Rmeas	0.238
Rpim	0.064
Number of reflections	443095	56686
<I/σ(I)>	7	2.3
Completeness [%]	100.0
Redundancy	13.8
CC(1/2)	0.983	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, sodium citrate, citrate-bis-Tris pH7