7M6D

Structure of the SARS-CoV-2 RBD in complex with neutralizing antibodies BG4-25 and CR3022

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	56.023, 104.324, 268.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.790 - 3.100
R-factor	0.2211
Rwork	0.218
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
RMSD bond length	0.012
RMSD bond angle	1.597
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.790	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.271	1.350
Rpim	0.125	0.886
Number of reflections	31903	4079
<I/σ(I)>	4
Completeness [%]	97.9	88.1
Redundancy	6.1
CC(1/2)	0.972	0.259

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	0.05 M citric acid, 0.05 M BIS-TRIS propane pH 5.0, 16% polyethylene glycol 3350