9YIR

HPV_2-1 TCR in complex with HLA-A*01:01 presenting HPV16 E2 9mer peptide (151-QVDYYGLYY-159)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	100.223, 54.984, 106.706
Unit cell angles	90.00, 115.63, 90.00

Refinement procedure

Resolution	90.360 - 2.280
R-factor	0.25533
Rwork	0.253
R-free	0.29922
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.131
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.290	2.340
High resolution limit [Å]	2.280	2.280
Rmerge	0.237	1.665
Rpim	0.139	0.955
Number of reflections	45417	3518
<I/σ(I)>	3.7	0.7
Completeness [%]	99.3	99.9
Redundancy	3.9	4
CC(1/2)	0.899	0.291

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG 3000, 0.1 M TRIS pH 8.5, 0.2 M lithium sulfate