9BTX

Structure of human MAIT A-F7 TCR in complex with human MR1-3,4-dihydroxybenzaldehyde

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	2021-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	C 1 2 1
Unit cell lengths	217.129, 70.405, 143.573
Unit cell angles	90.00, 104.61, 90.00

Refinement procedure

Resolution	36.190 - 2.050
R-factor	0.1858
Rwork	0.185
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.586
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.190	2.123
High resolution limit [Å]	2.050	2.050
Rmerge	0.057
Number of reflections	427544	40598
<I/σ(I)>	11.71
Completeness [%]	97.5
Redundancy	3.3
CC(1/2)	0.998	0.772

Crystallization Conditions

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