9WC3

Crystal structure of HLA-A*02:01-YL9 complexed with C4 TCR

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	2024-12-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	72.360, 79.090, 191.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.540 - 2.400
Rwork	0.191
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.618
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]	49.710	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.140	0.526
Rmeas	0.175	0.667
Rpim	0.104	0.404
Number of reflections	42071	4365
<I/σ(I)>	6.8	2.4
Completeness [%]	96.6	96.5
Redundancy	4.2	3.7
CC(1/2)	0.976	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	magnesium chloride, MES buffer, and PEG 6000