9EJG

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	2021-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	I 1 2 1
Unit cell lengths	92.947, 43.359, 257.586
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	45.090 - 2.200
R-factor	0.1968
Rwork	0.195
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.716
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]	45.090	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.122
Number of reflections	52980	4583
<I/σ(I)>	9.6
Completeness [%]	100.0
Redundancy	5.6
CC(1/2)	0.995	0.830

Crystallization Conditions

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