8VCX

Human TCR A2.13 in complex with DQ8-InsCpep

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	64.651, 64.818, 255.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.530 - 2.590
R-factor	0.2045
Rwork	0.203
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	autoXDS
Data scaling software	XDS (5.0.32)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.530	2.700
High resolution limit [Å]	2.590	2.590
Rmerge	0.079	0.778
Rmeas	0.082
Rpim	0.022	0.215
Number of reflections	34359	4028
<I/σ(I)>	19.5	3.6
Completeness [%]	99.3
Redundancy	13.6
CC(1/2)	0.999	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	0.2 M Potassium sodium tartrate, 24% PEG 3350