7XS8

Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	195.107, 86.399, 56.555
Unit cell angles	90.00, 100.24, 90.00

Refinement procedure

Resolution	48.000 - 2.800
R-factor	0.218
Rwork	0.215
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.870
High resolution limit [Å]	2.800	6.900	2.800
Rmerge	0.231	0.100	0.958
Rmeas	0.251	0.108	1.053
Rpim	0.097	0.042	0.428
Total number of observations	147555
Number of reflections	22719	1572	1407
<I/σ(I)>	3.8
Completeness [%]	98.6	98.9	93.8
Redundancy	6.5	6.5	5.3
CC(1/2)		0.993	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	2% v/v Tacsimate pH 5.0, 0.1M Sodium citrate tribasic dihydrate pH 5.4, 13% w/v Polyethylene glycol 3350