8K50

Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK)

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	2022-11-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978520
Spacegroup name	P 21 21 21
Unit cell lengths	116.289, 121.845, 133.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.980 - 2.800
R-factor	0.225
Rwork	0.223
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.511
Data reduction 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	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	47325	4698
<I/σ(I)>	16.98
Completeness [%]	99.8
Redundancy	13.2
CC(1/2)	0.998	0.917

Crystallization Conditions

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