7ZT2

Structure of E8 TCR in complex with human MR1 bound to 5-OP-RU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	91.190, 103.850, 117.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.240 - 2.400
R-factor	0.21856
Rwork	0.215
R-free	0.27621
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pj7
RMSD bond length	0.007
RMSD bond angle	1.559
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]	59.240	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.133	3.872
Rmeas	0.137	4.022
Rpim	0.035	1.073
Number of reflections	44054	2149
<I/σ(I)>	13.8	0.8
Completeness [%]	99.1	98.17
Redundancy	15.2
CC(1/2)	0.999	0.419

Crystallization Conditions

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