8VD2

Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP1

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	2022-09-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	75.121, 109.463, 109.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.900
R-factor	0.2231
Rwork	0.221
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.151	0.597
Rmeas	0.171	0.718
Rpim	0.096	0.400
Number of reflections	20755	3281
<I/σ(I)>	7.8	2.7
Completeness [%]	100.0
Redundancy	3.1
CC(1/2)	0.990	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	0.2 M potassium dihydrogen phosphate (KH2PO4), 15% w/v PEG 20,000 with seeding and additive 30 mM MnCl2