7ZT5

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

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	90.970, 104.670, 117.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.850 - 2.090
R-factor	0.22714
Rwork	0.225
R-free	0.26607
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u6q
RMSD bond length	0.009
RMSD bond angle	1.479
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]	58.850	2.130
High resolution limit [Å]	2.090	2.090
Rmerge	0.091	4.970
Rmeas	0.094	5.164
Rpim	0.024	1.383
Number of reflections	67006	3210
<I/σ(I)>	14.9	0.5
Completeness [%]	99.8	97.04
Redundancy	15	13.6
CC(1/2)	1.000	0.344

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium malonate dibasic monohydrate, 0.1 M Bis-Tris Propane pH 8.5, 20% PEG 3350