7ZT3

Structure of E8 TCR in complex in human MR1 K43A

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	2019-10-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	70.240, 111.380, 143.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.030 - 2.400
R-factor	0.19303
Rwork	0.191
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u6q
RMSD bond length	0.008
RMSD bond angle	1.532
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]	47.830	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.118	1.487
Rmeas	0.122	1.561
Rpim	0.031	0.463
Number of reflections	44778	2128
<I/σ(I)>	15.9	1.4
Completeness [%]	100.0	96.55
Redundancy	14.7	10.8
CC(1/2)	0.999	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 15 % PEG 4000