8XUB

Crystal structure of Y-50 TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	68.113, 168.692, 173.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.030 - 2.500
R-factor	0.2293
Rwork	0.226
R-free	0.29940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.062
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.630	2.560
High resolution limit [Å]	2.500	2.500
Rpim	0.050	0.765
Number of reflections	69976	4444
<I/σ(I)>	16.6	1.5
Completeness [%]	100.0
Redundancy	13.5	14.1
CC(1/2)	0.999	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2M potassium sulfate, 0.1M Bis-TrispH5.5, 25%PEG3350