6PUG

Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-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	2016-03-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953700
Spacegroup name	C 1 2 1
Unit cell lengths	212.620, 69.266, 142.055
Unit cell angles	90.00, 103.68, 90.00

Refinement procedure

Resolution	47.030 - 1.800
R-factor	0.1614
Rwork	0.160
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.009
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.030	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.096	0.833
Rpim	0.047	0.410
Number of reflections	185974	18582
<I/σ(I)>	11.96	1.96
Completeness [%]	99.9	99.97
Redundancy	5	5
CC(1/2)	0.998

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