9IKY

Crystal structure of 1-2C-T96F TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-06
Detector	STFC Large Pixel Detector
Wavelength(s)	0.97915
Spacegroup name	P 1
Unit cell lengths	157.775, 157.773, 193.023
Unit cell angles	103.03, 101.92, 82.17

Refinement procedure

Resolution	35.000 - 3.450
R-factor	0.2103
Rwork	0.209
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.549
Data scaling software	XDS (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.430	3.200
High resolution limit [Å]	3.120	3.120
Rmerge	0.141	1.647
Rmeas	0.167	1.927
Rpim	0.088	0.994
Number of reflections	308558	22927
<I/σ(I)>	7.6
Completeness [%]	98.2
Redundancy	9.3
CC(1/2)	0.993	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES (pH 7.0) 15% w/v PEG 4000.