7ZT9

Structure of E8 TCR in complex in human MR1 bound to 4FBA

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	2019-11-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	88.540, 96.240, 117.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.620 - 2.130
R-factor	0.19828
Rwork	0.196
R-free	0.24367
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u6q
RMSD bond length	0.009
RMSD bond angle	1.590
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]	58.620	2.170
High resolution limit [Å]	2.130	2.130
Rmerge	0.109	2.656
Rmeas	0.113	2.746
Rpim	0.029	0.692
Number of reflections	56786	2839
<I/σ(I)>	15.3	1
Completeness [%]	100.0	100
Redundancy	14.9	15.5
CC(1/2)	0.999	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.5, 20% PEG 4000, 15% Glycerol