9TML

Structure of TCR-B 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	2024-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	138.377, 81.780, 91.312
Unit cell angles	90.00, 98.63, 90.00

Refinement procedure

Resolution	34.200 - 1.950
R-factor	0.2645
Rwork	0.263
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.663
Data reduction software	XDS (BUILT=20250119)
Data scaling software	Aimless (1.13.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.140	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.156	1.079
Rmeas	0.186	1.300
Rpim	0.101	0.717
Number of reflections	72498	4463
<I/σ(I)>	6.2	1.8
Completeness [%]	99.0	99.3
Redundancy	3.3	3.2
CC(1/2)	0.993	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	0.2 M NaCl 0.1 M MES pH 6.0 20% PEG 6000