7S0B

Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056

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	2021-02-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.97946
Spacegroup name	P 21 21 2
Unit cell lengths	102.297, 153.656, 96.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.410 - 2.900
R-factor	0.217
Rwork	0.215
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k8m
RMSD bond length	0.004
RMSD bond angle	0.905
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]	38.960	3.040
High resolution limit [Å]	2.900	2.900
Rmerge	0.187	1.330
Rpim	0.083	0.828
Number of reflections	34420	4471
<I/σ(I)>	6.4	1.5
Completeness [%]	99.8	99.1
Redundancy	6.6
CC(1/2)	0.993	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Lithium citrate tribasic tetrahydrate and 20% w/v polyethylene glycol 3,350