5U6Q

Structure of human MR1-3-F-SA 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	2014-10-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953
Spacegroup name	C 1 2 1
Unit cell lengths	217.668, 70.510, 143.370
Unit cell angles	90.00, 104.77, 90.00

Refinement procedure

Resolution	44.386 - 1.900
R-factor	0.1838
Rwork	0.182
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.009
RMSD bond angle	1.188
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.386	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.086	0.746
Rmeas	0.097
Rpim	0.045
Total number of observations	722223
Number of reflections	161424
<I/σ(I)>	11.1
Completeness [%]	97.6	94.2
Redundancy	4.5	4.6
CC(1/2)	0.997	0.746

Crystallization Conditions

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