5U72

Structure of human MR1-5OH-DCF 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	2015-06-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953
Spacegroup name	C 1 2 1
Unit cell lengths	213.090, 69.600, 142.370
Unit cell angles	90.00, 103.72, 90.00

Refinement procedure

Resolution	36.815 - 2.500
R-factor	0.176
Rwork	0.173
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.006
RMSD bond angle	0.971
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.9)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.815	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.076	0.462
Rmeas	0.088
Rpim	0.044
Total number of observations	273724
Number of reflections	69625
<I/σ(I)>	12.3
Completeness [%]	98.9	97.8
Redundancy	3.9	3.4
CC(1/2)	0.997	0.874

Crystallization Conditions

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