9WE1

Crystal structure of HLA-A*11:01 bound to G12V-9-T2 peptide(VTGAVGVGK)

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	2024-09-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	49.381, 67.187, 76.446
Unit cell angles	90.00, 98.91, 90.00

Refinement procedure

Resolution	27.670 - 1.700
R-factor	0.255
Rwork	0.253
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (v1.21-5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.200	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.078	0.919
Rpim	0.039	0.468
Number of reflections	54877	7964
<I/σ(I)>	11.3	2
Completeness [%]	100.0	100
Redundancy	4.9	4.9
CC(1/2)	0.999	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M Imidazole pH 7.0, 20% w/v PEG 6000