7S5R

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibodies CV07-287 and COVA1-16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	89.632, 121.480, 136.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.530 - 2.450
R-factor	0.2087
Rwork	0.207
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmw
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.115	0.046	1.169
Rmeas	0.119	0.048	1.270
Rpim	0.033	0.013	0.480
Total number of observations	694114
Number of reflections	55625	3004	2743
<I/σ(I)>	5.2
Completeness [%]	99.9	99.5	99.2
Redundancy	12.5	12.2	6.6
CC(1/2)		0.999	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	1.6 M ammonium sulfate and 0.1 M bicine pH 9.0