9WC2

Crystal structure of HLA-A*02:01-WT1 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)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	70.370, 78.950, 193.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.960 - 2.250
R-factor	0.1943
Rwork	0.193
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.652
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]	49.960	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.038	0.160
Rmeas	0.054	0.227
Rpim	0.038	0.160
Number of reflections	51111	4757
<I/σ(I)>	12.08	4.29
Completeness [%]	98.2	92.93
Redundancy	2
CC(1/2)	0.997	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1 M ammonium sulfate, 0.1 M sodium citrate, 12% PEG 4000, 18% glycerol