6XE1

Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a potent neutralizing antibody, CV30 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 63
Unit cell lengths	147.441, 147.441, 89.379
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.260 - 2.750
R-factor	0.213
Rwork	0.212
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg 5i1e
RMSD bond length	0.003
RMSD bond angle	0.617
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.031	0.492
Rmeas	0.043
Number of reflections	28897	2862
<I/σ(I)>	13.01	1.45
Completeness [%]	99.9	99.97
Redundancy	2	2
CC(1/2)	0.999	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2M ammonium citrate, tribasic, 12% PEG 3350