7DPM

Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 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	C 1 2 1
Unit cell lengths	147.130, 153.830, 172.690
Unit cell angles	90.00, 95.88, 90.00

Refinement procedure

Resolution	47.520 - 3.304
R-factor	0.2197
Rwork	0.217
R-free	0.26330
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	3.420
High resolution limit [Å]	3.300	7.100	3.300
Rmerge	0.166	0.078	1.211
Rmeas	0.180	0.085	1.319
Rpim	0.069	0.033	0.518
Total number of observations	390068
Number of reflections	57134	5800	5714
<I/σ(I)>	4.7
Completeness [%]	100.0	99.6	100
Redundancy	6.8	6.7	6.4
CC(1/2)		0.995	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	289	12% EG, 0.1 M Citrate-Na, pH 3.5, 14% PEG 6000