7T2D

Crystal structure of the B1 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	2020-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 2
Unit cell lengths	159.709, 193.570, 236.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.400 - 3.400
R-factor	0.2382
Rwork	0.236
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p5k 4may
RMSD bond length	0.003
RMSD bond angle	0.502
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]	33.400	3.500
High resolution limit [Å]	3.400	3.400
Number of reflections	101100	9986
<I/σ(I)>	5.6	1.5
Completeness [%]	99.5
Redundancy	2	2
CC(1/2)	0.995	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	Potassium sodium tartrate, Tris-HCl pH 8