6PUJ

Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U

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	2017-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953736
Spacegroup name	C 1 2 1
Unit cell lengths	218.607, 70.776, 143.802
Unit cell angles	90.00, 104.56, 90.00

Refinement procedure

Resolution	45.770 - 1.920
R-factor	0.1641
Rwork	0.163
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.005
RMSD bond angle	0.723
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.770	1.990
High resolution limit [Å]	1.920	1.920
Number of reflections	162028	16074
<I/σ(I)>	15.88
Completeness [%]	99.6
Redundancy	3.5
CC(1/2)	0.999	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate