6PUM

Structure of human MAIT A-F7 TCR in complex with human MR1-2'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	2018-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95365
Spacegroup name	C 1 2 1
Unit cell lengths	218.055, 70.242, 144.022
Unit cell angles	90.00, 104.57, 90.00

Refinement procedure

Resolution	48.320 - 1.960
R-factor	0.1557
Rwork	0.154
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.010
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.320	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	150402	14877
<I/σ(I)>	9.11
Completeness [%]	99.2
Redundancy	3.7
CC(1/2)	0.995	0.665

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