8CMF

Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp3 epitope (orf1ab)1350-1364

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 21 21 21
Unit cell lengths	60.230, 95.490, 202.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.110 - 2.200
R-factor	0.2088
Rwork	0.207
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.816
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]	55.110	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.345	4.163
Rmeas	0.351	4.244
Rpim	0.066	0.818
Number of reflections	60213	5910
<I/σ(I)>	9.39	0.86
Completeness [%]	99.9	98.89
Redundancy	27.9
CC(1/2)	0.998	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.1 M SPG pH 4.6, 25 % PEG1500