6WS6

Structural and functional analysis of a potent sarbecovirus neutralizing antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-03-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9713
Spacegroup name	P 41 21 2
Unit cell lengths	132.590, 132.590, 301.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.760 - 3.300
R-factor	0.1899
Rwork	0.188
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nb8
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.18rc4-3812)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.355	93.755	3.480
High resolution limit [Å]	3.300	10.440	3.300
Rmerge		0.049	0.750
Rmeas	0.187	0.052	0.783
Rpim	0.054	0.016	0.225
Total number of observations	493741	15628	70944
Number of reflections	41395	1506	5912
<I/σ(I)>	13.2	29.9	3.5
Completeness [%]	100.0	99.9	100
Redundancy	11.9	10.4	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	1.1 M Sodium Malonate, 0.1 M HEPES, pH 7.0 and 0.5% (w/v) Jeffamine ED-2001