9SKP

Crystal structure of HLA-A0201 in complex with peptide SLLWNGPMAV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-08
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	60.626, 79.959, 109.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.680 - 1.890
R-factor	0.1881
Rwork	0.186
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.862
Data reduction software	XDS (Jun 30, 2024 (BUILT 20240723))
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]	19.680	1.927
High resolution limit [Å]	1.890	1.890
Rmerge	0.148
Rmeas	0.154
Rpim	0.041
Number of reflections	42938	2079
<I/σ(I)>	13.1	2.5
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.999	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	0.005M Nickel(II)chloride hexahydrate, 0.1 M TRIS 7.5 20% w/v PEG 4000 Clear Strategy 2 F9