7CH5

Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2020-06-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	56.049, 102.347, 164.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.160 - 2.700
R-factor	0.2285
Rwork	0.227
R-free	0.25980
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	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	26831	1283
<I/σ(I)>	13.78
Completeness [%]	100.0
Redundancy	12.2
CC(1/2)	0.993	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M Sodium citrate tribasic dihydrate pH 5.0 and 18% w/v Polyethylene glycol 20000