7DJZ

Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 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	2020-07-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9785
Spacegroup name	C 2 2 21
Unit cell lengths	65.622, 86.833, 293.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.679 - 2.397
R-factor	0.1855
Rwork	0.183
R-free	0.22980
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	2.490
High resolution limit [Å]	2.397	5.170	2.400
Rmerge	0.149	0.067	1.110
Rmeas	0.156	0.070	1.167
Rpim	0.048	0.022	0.353
Number of reflections	33331	3556	3324
<I/σ(I)>	4.8
Completeness [%]	99.7	99.8	99.7
Redundancy	10.6	10.1	10.9
CC(1/2)		0.997	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	0.1 M sodium citrate, pH 5.6, 18% (w/v) polyethylene glycol (PEG) 4000, 14% (v/v) 2-propanol, and 0.01 M barium chloride.