8CMG

Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp14 peptide (orf1ab)6420-6434

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	61.250, 61.250, 418.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.620 - 1.640
R-factor	0.1963
Rwork	0.195
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.254
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.800	1.700
High resolution limit [Å]	1.640	1.640
Rmerge	0.054	2.396
Rmeas	0.055	2.396
Rpim	0.012	0.502
Number of reflections	58910	5691
<I/σ(I)>	24.06	1.08
Completeness [%]	99.5	98.07
Redundancy	21.6	22.1
CC(1/2)	0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M sodium cacodylate pH 6.5, 25 % PEG8000, 0.2 M ammonium sulphate