9EJH

Peptide-independent T cell receptor recognition of HLA-DQ2

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	2021-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	I 1 2 1
Unit cell lengths	92.974, 43.272, 257.958
Unit cell angles	90.00, 90.31, 90.00

Refinement procedure

Resolution	45.220 - 2.450
R-factor	0.1783
Rwork	0.176
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.579
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.220	2.550
High resolution limit [Å]	2.450	2.450
Number of reflections	38503	4311
<I/σ(I)>	7.1	2.2
Completeness [%]	100.0
Redundancy	4.4
CC(1/2)	0.988	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	8% Tacsimate, pH 8.0, 20-24% w/v PEG3350