8WTE

Crystal structure of 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 BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	45.600, 96.142, 117.789
Unit cell angles	80.83, 82.14, 78.59

Refinement procedure

Resolution	39.010 - 2.170
Rwork	0.171
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.717
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.590	2.290
High resolution limit [Å]	2.170	2.170
Rmerge	0.072	0.359
Rmeas	0.089	0.446
Rpim	0.052	0.260
Number of reflections	98037	12909
<I/σ(I)>	5.3	2.2
Completeness [%]	96.0	86.5
Redundancy	2.7	2.5
CC(1/2)	0.990	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289.15	20% (w/v) PEG 3350 0.2 M sodium citrate.