7ZT4

Structure of E8 TCR in complex with human MR1 bound to 6FP

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	2020-07-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	91.710, 104.390, 117.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.990 - 2.020
R-factor	0.236
Rwork	0.234
R-free	0.26764
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u6q
RMSD bond length	0.008
RMSD bond angle	1.476
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]	58.990	2.050
High resolution limit [Å]	2.020	2.020
Rmerge	0.140	4.786
Rmeas	0.145	4.946
Rpim	0.037	1.234
Number of reflections	74899	3684
<I/σ(I)>	13.1	0.6
Completeness [%]	100.0	100
Redundancy	15.2	15.7
CC(1/2)	0.999	0.299

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium iodide, 0.1 M Bis-Tris propane pH 8.5 and 20 % w/v PEG 3350