8BEC

Crystal structure of the SARS-CoV-2 S RBD in complex with pT1375 scFV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	87.446, 91.559, 156.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.780 - 1.700
R-factor	0.1857
Rwork	0.185
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kgj 7s4s
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.079	1.532
Rmeas	0.082	1.594
Rpim	0.022	0.435
Number of reflections	138573	13750
<I/σ(I)>	17.68	1.28
Completeness [%]	100.0	99.98
Redundancy	13.3	13.1
CC(1/2)	0.999	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	pT1375-RBD at 15,5 mg/ml using 1.5 M Ammonium sulfate, 15 % w/v glycerol, 100 mM Tris pH 8.5 as reservoir and micro seeds in 18% PEG 3350, 100 mM citrate pH 4, 200 mM Na3Cit stabilization solution