7UFJ

Structure of human MR1-ethylvanillin 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	2021-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	C 1 2 1
Unit cell lengths	217.936, 70.888, 144.387
Unit cell angles	90.00, 104.86, 90.00

Refinement procedure

Resolution	48.430 - 2.500
R-factor	0.1833
Rwork	0.180
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u2v
RMSD bond length	0.008
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.430	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.059	0.445
Rmeas	0.084	0.630
Rpim	0.059	0.445
Number of reflections	73277	7243
<I/σ(I)>	9.24	2.03
Completeness [%]	98.8
Redundancy	2
CC(1/2)	0.995	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	BTP PEG 3350 NaAc