8RNE

HLA-E*01:03 in complex with SARS-CoV-2 Nsp13 peptide, VMPLSAPTL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	120.493, 67.597, 152.228
Unit cell angles	90.00, 92.78, 90.00

Refinement procedure

Resolution	46.110 - 1.710
Rwork	0.204
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.469
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.110	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.070	1.252
Rmeas	0.083
Rpim	0.044	0.774
Number of reflections	132063	6521
<I/σ(I)>	11.7	1.4
Completeness [%]	99.9	100
Redundancy	2
CC(1/2)	0.999	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.15 M potassium bromide, 20% w/v of PEG 2000 MME