9XJD

the structure of HLA*1101 complex with peptide from H5N1 NP342-351 RVSSFIRGTR

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	2025-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	49.000, 68.070, 73.410
Unit cell angles	90.00, 100.83, 90.00

Refinement procedure

Resolution	48.130 - 2.500
R-factor	0.1942
Rwork	0.192
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.954
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]	49.500	2.660
High resolution limit [Å]	2.500	2.500
Rpim		0.387
Number of reflections	16499	5920
<I/σ(I)>	14.9
Completeness [%]	99.5
Redundancy	6.2
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2 M Sodium acetate trihydrate 20% w/v Polyethylene glycol 3,350