8CME

Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190

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	2022-01-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	113.374, 156.766, 165.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.280 - 2.260
R-factor	0.2001
Rwork	0.198
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.788
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.340
High resolution limit [Å]	2.260	2.260
Rmerge	0.100	3.099
Rmeas	0.104	3.219
Rpim	0.028	0.867
Number of reflections	69030	6779
<I/σ(I)>	16.05	0.5
Completeness [%]	99.8	98.96
Redundancy	13.7
CC(1/2)	0.998	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	0.1 M MES pH 5.0, 20 % PEG3350