6W9U

Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP

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	PIXEL
Collection date	2019-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	C 1 2 1
Unit cell lengths	218.317, 70.788, 142.983
Unit cell angles	90.00, 104.59, 90.00

Refinement procedure

Resolution	40.110 - 1.890
R-factor	0.1636
Rwork	0.162
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6puc
RMSD bond length	0.010
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.110	1.958
High resolution limit [Å]	1.890	1.890
Number of reflections	168728	16701
<I/σ(I)>	11.41
Completeness [%]	98.8
Redundancy	3.8
CC(1/2)	0.998	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	298	PEG3350, BTP, Cacl2