9UV8

Crystal structure of HLA-A*11:01 in complex with KRAS G12D 9-mer peptide (VVGADGVGK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2025-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 1 21 1
Unit cell lengths	56.249, 80.002, 57.692
Unit cell angles	90.00, 116.40, 90.00

Refinement procedure

Resolution	51.670 - 1.790
R-factor	0.1935
Rwork	0.192
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.670	1.880
High resolution limit [Å]	1.790	1.790
Rmerge	0.089	0.556
Rmeas	0.100	0.649
Rpim	0.046	0.327
Number of reflections	42599	5880
<I/σ(I)>	13.9	2.6
Completeness [%]	98.3
Redundancy	4.7
CC(1/2)	0.997	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	27% PEG3350,0.1M Bis-Tris,0.2M Lithium sulfate,additve 0.1M Spermidine