8K4T

Crystal structure of HLA-A*11:01 in complex with KRAS G12C peptide (VVVGACGVGK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-10-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978530
Spacegroup name	P 1
Unit cell lengths	48.708, 63.579, 75.507
Unit cell angles	105.86, 92.66, 97.70

Refinement procedure

Resolution	28.780 - 2.300
R-factor	0.2607
Rwork	0.258
R-free	0.31600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.509
Data scaling software	XDS
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	37232	3676
<I/σ(I)>	21.53
Completeness [%]	97.3
Redundancy	3.5
CC(1/2)	0.999	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	Ammonium sulfate,Sodium cacodylate pH 6.0, PEG 4000