7S4S

Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab

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	2021-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	55.056, 111.259, 142.948
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.900 - 2.050
R-factor	0.1673
Rwork	0.166
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmp
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.080
High resolution limit [Å]	2.040	2.040
Rmerge	0.141	0.637
Rpim	0.073	0.425
Number of reflections	54854	2504
<I/σ(I)>	11.6	1.65
Completeness [%]	98.0	92.1
Redundancy	4	2.6
CC(1/2)	0.978	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	15% PEG 4000 150 mM ammonium sulfate 0.1 M MES pH 6.0