7L0N

Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-10-31
Detector	RDI CMOS_8M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	77.980, 186.580, 194.520
Unit cell angles	90.00, 96.40, 90.00

Refinement procedure

Resolution	48.900 - 2.780
R-factor	0.2921
Rwork	0.290
R-free	0.32470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j 7jx3
RMSD bond length	0.002
RMSD bond angle	0.668
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.950	48.900	2.830
High resolution limit [Å]	2.780	15.230	2.780
Rmerge	0.506	0.100	3.260
Rmeas	0.545	0.108	3.671
Rpim	0.202	0.041	1.641
Total number of observations		6074	31733
Number of reflections	131453	857	6812
<I/σ(I)>	3.3	9.8	0.5
Completeness [%]	94.8	96.8	99.8
Redundancy	7.2	7.1	4.7
CC(1/2)	0.970	0.994	0.180

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.09 M Buffer System 3 pH 8.5 contains Tris (base); BICINE 27% Precipitant Mix 2 contains Ethylene glycol and PEG8000 0.1 M Ammonium sulfate