6PUF

Structure of human MAIT A-F7 TCR in complex with human MR1-5'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	2016-05-03
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	216.033, 69.815, 142.942
Unit cell angles	90.00, 104.26, 90.00

Refinement procedure

Resolution	47.810 - 1.920
R-factor	0.1802
Rwork	0.178
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	1.990
High resolution limit [Å]	1.920	1.920
Rmerge	0.115	0.644
Rpim	0.061	0.390
Number of reflections	156885	14872
<I/σ(I)>	10.36	1.95
Completeness [%]	99.4
Redundancy	4.6
CC(1/2)	0.997	0.291

Crystallization Conditions

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