9EK7

Crystal structure of MAIT TCR in complex with MR1-5FdU

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	2018-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953664004803
Spacegroup name	C 1 2 1
Unit cell lengths	217.587, 70.528, 144.227
Unit cell angles	90.00, 104.68, 90.00

Refinement procedure

Resolution	49.740 - 2.150
R-factor	0.1791
Rwork	0.178
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.532
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.740	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	115230	11423
<I/σ(I)>	8.3
Completeness [%]	99.8
Redundancy	4.4
CC(1/2)	0.996	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG3350, sodium acetate, BTP