9O05

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

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	PIXEL
Collection date	2020-10-01
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.953723585849
Spacegroup name	C 1 2 1
Unit cell lengths	217.380, 70.773, 143.629
Unit cell angles	90.00, 104.70, 90.00

Refinement procedure

Resolution	47.010 - 1.950
R-factor	0.166
Rwork	0.164
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.815
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.010	1.970
High resolution limit [Å]	1.950	1.950
Number of reflections	152073	5066
<I/σ(I)>	14.68
Completeness [%]	98.7
Redundancy	1.9
CC(1/2)	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	298	Bis-Tris-propane, PEG3350 and sodium acetate