9EK6

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-03
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	216.366, 70.042, 142.518
Unit cell angles	90.00, 104.25, 90.00

Refinement procedure

Resolution	46.040 - 2.220
R-factor	0.1829
Rwork	0.181
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.505
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]	46.040	2.290
High resolution limit [Å]	2.220	2.220
Number of reflections	102344	10158
<I/σ(I)>	13.71
Completeness [%]	99.7
Redundancy	3.8	3.8
CC(1/2)	0.998	0.756

Crystallization Conditions

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