7NP1

Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	P 1 21 1
Unit cell lengths	91.049, 107.899, 181.628
Unit cell angles	90.00, 99.45, 90.00

Refinement procedure

Resolution	48.280 - 2.800
R-factor	0.2369
Rwork	0.232
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bnv
RMSD bond length	0.004
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PDB-REDO (v1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.063
Number of reflections	85521	8446
<I/σ(I)>	5.79
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.993	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	16% PEG3350 0.2 M ammonium citrate tribasic