9BTY

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

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	2017-03-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	216.843, 70.281, 143.207
Unit cell angles	90.00, 104.12, 90.00

Refinement procedure

Resolution	39.910 - 2.850
R-factor	0.1635
Rwork	0.161
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.966
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]	39.910	2.955
High resolution limit [Å]	2.850	2.853
Rmerge	0.124
Number of reflections	222966	20545
<I/σ(I)>	11.65
Completeness [%]	98.4
Redundancy	4.6
CC(1/2)	0.995	0.772

Crystallization Conditions

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