7VYR

Crystal structure of SARS-CoV-2 Spike RBD in complex with the D27 neutralizing antibody Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	61.801, 191.676, 65.900
Unit cell angles	90.00, 93.99, 90.00

Refinement procedure

Resolution	47.920 - 2.200
R-factor	0.1928
Rwork	0.192
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mik 7jmo
RMSD bond length	0.009
RMSD bond angle	1.216
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.920	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.087	0.267
Number of reflections	74394	6968
<I/σ(I)>	1.36
Completeness [%]	95.4
Redundancy	6.3
CC(1/2)		0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	20% (v/v) PEG 3350, 200mM NH4Cl