9TMM

Structure of the TCR-A targeting GPC3 [FLAELAYDL] peptide bound to HLA-A*02:01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	78.645, 78.645, 574.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.420 - 2.300
R-factor	0.2457
Rwork	0.244
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.467
Data reduction software	XDS (BUILT=20250119)
Data scaling software	Aimless (1.13.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.420	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.277	1.568
Rmeas	0.284	1.610
Rpim	0.065	0.360
Number of reflections	48958	4388
<I/σ(I)>	10.4	2.7
Completeness [%]	100.0	100
Redundancy	18.9	19.8
CC(1/2)	0.997	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1 M MIB pH 8.0 23% PEG 1500