8DCC

SARS-CoV-2 Receptor-Binding Domain SPEEDesign Immunogen 3 Bound to P2B-2F6 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	71.060, 91.965, 111.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.230 - 2.600
R-factor	0.2247
Rwork	0.221
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bwj
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.880	2.660
High resolution limit [Å]	2.570	2.570
Rmerge	0.187	2.089
Rmeas	0.203	2.262
Rpim	0.078	0.861
Number of reflections	23841	2326
<I/σ(I)>	8.2
Completeness [%]	100.0	100
Redundancy	6.6	6.8
CC(1/2)	0.994	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291	0.2 M sodium fluoride, 20% w/v PEG3350