8VD0

Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP2

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	2022-08-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 1 21 1
Unit cell lengths	72.193, 139.303, 120.495
Unit cell angles	90.00, 93.70, 90.00

Refinement procedure

Resolution	45.510 - 2.400
R-factor	0.1899
Rwork	0.188
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.517
Data reduction software	autoXDS
Data scaling software	XDS (ccp4-8.0)
Phasing software	PHASER (ccp4-8.0)
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.980	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.522
Rmeas	0.078	0.584
Rpim	0.047	0.258
Number of reflections	91516	4473
<I/σ(I)>	13.3	3.2
Completeness [%]	98.7
Redundancy	5
CC(1/2)	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	0.2 M K Na tartrate, 15% w/v PEG 20,000 with seeding and additive C8 silver bullet