9BU0

Structure of human MAIT A-F7 TCR in complex with human MR1-salicylaldehyde

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	2020-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9322
Spacegroup name	C 1 2 1
Unit cell lengths	217.092, 71.188, 144.387
Unit cell angles	90.00, 104.76, 90.00

Refinement procedure

Resolution	34.990 - 2.890
R-factor	0.2045
Rwork	0.203
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.066
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.270	2.993
High resolution limit [Å]	2.890	2.890
Number of reflections	148434	14575
<I/σ(I)>	10.47
Completeness [%]	98.1
Redundancy	3.1
CC(1/2)	0.879	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG 3350, Na acetate, BTP