8DCE

SARS-CoV-2 Receptor-Binding Domain SPEEDesign Immunogen 1 Bound to C144 scFv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-24
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	81.630, 97.310, 141.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 2.000
R-factor	0.1786
Rwork	0.177
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bwj
RMSD bond length	0.002
RMSD bond angle	0.530
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.780	2.050
High resolution limit [Å]	2.000	2.000
Rmeas	0.125	0.845
Number of reflections	38255	2688
<I/σ(I)>	12.83
Completeness [%]	99.7
Redundancy	5.73
CC(1/2)	0.997	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.04 M potassium dihydrogen phosphate, 16% PEG8000, 20% glycerol