7PQY

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A Fab

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	2021-02-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	172.651, 147.159, 100.803
Unit cell angles	90.00, 123.80, 90.00

Refinement procedure

Resolution	83.770 - 3.000
R-factor	0.2288
Rwork	0.228
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nx6
RMSD bond length	0.002
RMSD bond angle	0.555
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]	84.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.181
Rpim	0.041
Number of reflections	41694	1857
<I/σ(I)>	7.2	0.2
Completeness [%]	99.4	87.6
Redundancy	20.4	18.3
CC(1/2)	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.08 M sodium citrate tribasic and 24% (w/v) PEG 550.