9WPD

Crystal structure of HLA-A*11:01 bound to A0PXA8 peptide(ITGAVGIAK)

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	2023-11-27
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	49.221, 67.963, 73.456
Unit cell angles	90.00, 101.08, 90.00

Refinement procedure

Resolution	72.090 - 2.410
R-factor	0.2037
Rwork	0.201
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.848
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]	72.090	2.540
High resolution limit [Å]	2.410	2.410
Rmerge	0.161
Rmeas	0.182
Rpim	0.083
Number of reflections	18448	2686
<I/σ(I)>	8.8	3.4
Completeness [%]	100.0	100
Redundancy	5.2	5.3
CC(1/2)	0.981	0.342

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.2M Calcium chloride dihydrate, 0.1 M Sodium acetate pH4.6, 20%v/v 2-Propanol