6PVD

Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1

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	2018-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	C 1 2 1
Unit cell lengths	216.057, 70.112, 142.874
Unit cell angles	90.00, 103.97, 90.00

Refinement procedure

Resolution	53.490 - 2.140
R-factor	0.1697
Rwork	0.168
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.003
RMSD bond angle	0.617
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]	53.490	2.216
High resolution limit [Å]	2.140	2.140
Number of reflections	113315	11169
<I/σ(I)>	13.15
Completeness [%]	98.7
Redundancy	4.9
CC(1/2)	0.998	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	BTP (pH 6.0 - 6.5), PEG3350 and sodium acetate