7SRK

Single chain trimer HLA-A*24:02 (Y108C, A163C) with 8mer peptide YPPVPETF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-10-13
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	69.924, 76.072, 226.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.500
R-factor	0.2301
Rwork	0.229
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7sqp
RMSD bond length	0.002
RMSD bond angle	0.457
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.830	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	42766	4213
<I/σ(I)>	29.5
Completeness [%]	99.8
Redundancy	9.6
CC(1/2)	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	100 mM MES, pH 6.0, 200 mM KSCN, 18% Peg 3350