5D5M

Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 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	216.197, 70.260, 142.379
Unit cell angles	90.00, 104.15, 90.00

Refinement procedure

Resolution	47.739 - 2.200
R-factor	0.1731
Rwork	0.171
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.008
RMSD bond angle	1.099
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.7)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.110	75.110	2.240
High resolution limit [Å]	2.200	12.050	2.200
Rmerge	0.111	0.069	0.663
Rpim	0.068	0.043	0.398
Total number of observations	387238	2434	19150
Number of reflections	105471
<I/σ(I)>	7.4	15.4	2
Completeness [%]	99.9	99.1	99.9
Redundancy	3.7	3.5	3.7
CC(1/2)	0.991	0.987	0.765

Crystallization Conditions

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