7PQZ

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97629
Spacegroup name	P 31 2 1
Unit cell lengths	115.813, 115.813, 237.778
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.660 - 3.200
R-factor	0.2028
Rwork	0.201
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7pqy
RMSD bond length	0.002
RMSD bond angle	0.511
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.263
Rpim	0.027
Number of reflections	31254	1532
<I/σ(I)>	13.6	0.3
Completeness [%]	100.0	98.9
Redundancy	98.9	103.3
CC(1/2)	1.000	0.381

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.9 M sodium formate pH 7.0