6PUL

Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU

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	2018-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953720
Spacegroup name	C 1 2 1
Unit cell lengths	216.548, 70.029, 143.252
Unit cell angles	90.00, 104.30, 90.00

Refinement procedure

Resolution	49.490 - 1.840
R-factor	0.1569
Rwork	0.155
R-free	0.18430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.008
RMSD bond angle	0.933
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]	49.490	1.910
High resolution limit [Å]	1.840	1.840
Rmerge		0.775
Number of reflections	178381	17570
<I/σ(I)>	15.2
Completeness [%]	98.8
Redundancy	4.1
CC(1/2)	0.049

Crystallization Conditions

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