9WVF

Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK)

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	2025-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 21 21 21
Unit cell lengths	118.863, 121.529, 132.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.790 - 2.800
R-factor	0.2658
Rwork	0.265
R-free	0.29150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.544
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]	44.800	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.218	2.145
Rmeas	0.242	2.393
Rpim	0.103	1.046
Total number of observations	256236	22597
Number of reflections	47986	4385
<I/σ(I)>	6.9	0.7
Completeness [%]	99.9
Redundancy	5.3	5.2
CC(1/2)	0.993	0.385

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	29% PEG3350,0.1M Bis-Tris,PH5.2,0.2M Lithium sulfate