7YCL

Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-11-25
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	85.279, 86.860, 98.089
Unit cell angles	90.00, 108.66, 90.00

Refinement procedure

Resolution	32.620 - 2.130
R-factor	0.1756
Rwork	0.173
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zer
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.950	33.950	2.170
High resolution limit [Å]	2.130	10.650	2.130
Rmerge	0.084	0.033	0.319
Rmeas	0.098	0.039	0.391
Rpim	0.050	0.021	0.221
Total number of observations	283773	2167	13109
Number of reflections	75756	627	4327
<I/σ(I)>	9.7	19.2	3.3
Completeness [%]	99.7	97	96.6
Redundancy	3.7	3.5	3
CC(1/2)	0.997	0.998	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	2% v/v 1,4-Dioxane, 0.1M Tris pH 8.0, 15% w/v Polyethylene glycol 3350