5U17

Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR

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	CCD
Collection date	2015-03-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953
Spacegroup name	C 1 2 1
Unit cell lengths	215.288, 69.740, 142.359
Unit cell angles	90.00, 104.02, 90.00

Refinement procedure

Resolution	45.346 - 2.150
R-factor	0.1822
Rwork	0.180
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.346	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.115	0.914
Rmeas	0.131
Rpim	0.062
Total number of observations	489218
Number of reflections	111804
<I/σ(I)>	8.5
Completeness [%]	100.0	100
Redundancy	4.4	4.4
CC(1/2)	0.995	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	BTP, PEG 3350, NaAc