7DK2

Crystal structure of SARS-CoV-2 Spike RBD in complex with MW07 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	113.730, 102.810, 163.420
Unit cell angles	90.00, 107.16, 90.00

Refinement procedure

Resolution	46.468 - 3.000
R-factor	0.26
Rwork	0.258
R-free	0.30390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg 6jjp
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.199	0.078	0.980
Rmeas	0.220	0.087	1.081
Rpim	0.092	0.038	0.446
Total number of observations	381223
Number of reflections	70845	7344	7013
<I/σ(I)>	4
Completeness [%]	98.5	99.5	98.6
Redundancy	5.4	5.4	5.5
CC(1/2)		0.997	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	12% (w/v) polyethylene glycol 20000, 100 mM MES, pH 6.5, and 0.01 M TCEP