8VCY

Human TCR A2.13 in complex with DQ8-InsC8-15NPY

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	67.803, 106.695, 132.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.510 - 2.600
R-factor	0.1865
Rwork	0.184
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	autoXDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.510	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.102	0.349
Rmeas	0.112
Rpim	0.046	0.109
Number of reflections	30434	3659
<I/σ(I)>	16.5	7.8
Completeness [%]	100.0
Redundancy	10.6
CC(1/2)	0.995	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	0.2 M Potassium sodium tartrate, 14% PEG 20,000 with seeding C8 silver bullet (Hampton Research)