7SG0

W316 TCR in complex with HLA-DQ2-omega1

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	2020-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95370
Spacegroup name	C 1 2 1
Unit cell lengths	194.889, 73.248, 77.894
Unit cell angles	90.00, 95.23, 90.00

Refinement procedure

Resolution	48.520 - 3.000
R-factor	0.1927
Rwork	0.191
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mff 6cug 4ozh
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.520	3.100
High resolution limit [Å]	3.000	3.000
Number of reflections	22108	2177
<I/σ(I)>	5.3	1.7
Completeness [%]	99.8
Redundancy	2	2
CC(1/2)	0.919	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	24% PEG3350, 0.25 M (NH4)2SO4 and 0.1 M Tris/HCl at pH 8.0