7ZT8

Structure of E8 TCR in complex in human MR1 bound to 3FBA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	69.600, 113.130, 143.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.290
R-factor	0.21335
Rwork	0.211
R-free	0.26285
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u6q
RMSD bond length	0.009
RMSD bond angle	1.624
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.290	2.290
Rmerge	0.233	3.158
Rmeas	0.241	0.327
Rpim	0.062	0.842
Number of reflections	51936	2591
<I/σ(I)>	9.5	0.8
Completeness [%]	100.0	100
Redundancy	15.1	14.9
CC(1/2)	0.998	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Magnesium acetate tetrahydrate, 0.1 M MOPS pH 7.5, 12 % PEG 8000