7T2B

Crystal structure of the 5F TCR in complex with HLA-DP4-Ply

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	2019-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95365
Spacegroup name	P 21 21 21
Unit cell lengths	107.050, 110.780, 403.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.830 - 2.800
R-factor	0.2163
Rwork	0.216
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p5k 6cuh
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.830	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	118241	11691
<I/σ(I)>	10	1.9
Completeness [%]	99.6
Redundancy	2	2
CC(1/2)	0.996	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Tacsimate pH 8, PEG 3350