6PUE

Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU

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	CCD
Collection date	2017-08-24
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	218.216, 71.067, 144.293
Unit cell angles	90.00, 104.77, 90.00

Refinement procedure

Resolution	45.640 - 1.900
R-factor	0.2006
Rwork	0.199
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.007
RMSD bond angle	0.880
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]	45.640	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.076	0.529
Rmeas	0.085	0.594
Rpim	0.038	0.268
Number of reflections	168076	11960
<I/σ(I)>	12.7	2.92
Completeness [%]	96.8
Redundancy	4.8
CC(1/2)	0.998	0.887

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