8RLU

TCR in complex with HLA-E*01:03 bound to HBV envelope 371-379 S3N peptide

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	2022-02-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	81.417, 147.845, 91.908
Unit cell angles	90.00, 99.03, 90.00

Refinement procedure

Resolution	65.510 - 2.350
Rwork	0.208
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.567
Data reduction software	DIALS (3.8.2)
Data scaling software	DIALS (3.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.510	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.159	1.606
Rpim	0.065	0.758
Number of reflections	88665	3947
<I/σ(I)>	9.3	0.6
Completeness [%]	99.4
Redundancy	6.9
CC(1/2)	0.992	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% (w/v) PEG 3350, 100 mM BIS-TRIS propane pH 8.5, 200 mM sodium sulfate