24ST

Crystal Structure of the cross-restricted 14D7 TCR and HLA-B*81:01 bound to HIV-1 Gag TL9 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	95
Detector technology	CCD
Collection date	2025-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9875
Spacegroup name	P 21 21 21
Unit cell lengths	45.920, 127.481, 173.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.920 - 2.700
Rwork	0.197
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.516
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.920	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.171	0.494
Rmeas	0.183
Rpim	0.072	0.149
Number of reflections	28952	3755
<I/σ(I)>	16
Completeness [%]	99.8
Redundancy	6.4
CC(1/2)	0.984	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	12% (w/v) PEG 6000, 0.1 M sodium citrate (pH 5.6), and 0.1 M lithium sulfate