9SKO

Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAVS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-26
Detector	DECTRIS PILATUS4 X 4M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	59.928, 79.197, 111.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.660 - 1.490
R-factor	0.1853
Rwork	0.184
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.781
Data reduction software	XDS (Jun 30, 2024 (BUILT 20241002)
Data scaling software	Aimless (0.8.1)
Phasing software	PHENIX (1.21.2-5419)
Refinement software	PHENIX (1.21.2-5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.662	1.512
High resolution limit [Å]	1.486	1.486
Rmerge	0.074
Rmeas	0.084
Number of reflections	86353	4273
<I/σ(I)>	10.6	1.8
Completeness [%]	98.4
Redundancy	3.9
CC(1/2)	0.997	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Ammonium nitrate, 0.1M HEPES 7.5, 20% w/v PEG Smear Broad BCS Screen E9