8BG3

Crystal structure of the SARS-CoV-2 S RBD in complex with pT1610 scFV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	71.994, 60.167, 113.126
Unit cell angles	90.00, 105.40, 90.00

Refinement procedure

Resolution	45.460 - 1.900
R-factor	0.1855
Rwork	0.185
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kgj 6xca
RMSD bond length	0.007
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.460	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.091	1.304
Rmeas	0.110	1.746
Rpim	0.060	1.145
Number of reflections	80691	5567
<I/σ(I)>	8.46
Completeness [%]	92.3	65.19
Redundancy	3.5	2.2
CC(1/2)	0.977	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	pT1610-RBD at 10.2 mg/ml using 20% PEG 3350, 100 mM MES pH 6, 200 mM NaF as reservoir