6PUI

Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U

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	2016-04-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	C 1 2 1
Unit cell lengths	216.370, 70.050, 142.620
Unit cell angles	90.00, 104.16, 90.00

Refinement procedure

Resolution	52.160 - 1.960
R-factor	0.1592
Rwork	0.157
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.008
RMSD bond angle	0.929
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]	52.160	2.030
High resolution limit [Å]	1.960	1.960
Number of reflections	148778	14738
<I/σ(I)>	47.27
Completeness [%]	99.8
Redundancy	11.1
CC(1/2)	0.758	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	100 mM BTP (pH 6.0 - 6.5), 8-20% PEG3350 and 200 mM sodium acetate