9PBG

TCR 19.2 complex with YEIH-HLA B*27:05

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	84.844, 52.684, 102.042
Unit cell angles	90.00, 96.51, 90.00

Refinement procedure

Resolution	46.750 - 2.000
R-factor	0.2211
Rwork	0.220
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.750	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.109	1.668
Rmeas	0.129	1.981
Rpim	0.069	1.055
Number of reflections	59753	4384
<I/σ(I)>	8.1	1.1
Completeness [%]	98.1	98.1
Redundancy	3.4	3.4
CC(1/2)	0.996	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M sodium malonate pH 6.4 17% PEG 3350