7YCN

Crystal structure of SARS-CoV-2 Spike RBD in complex with IY-2A 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	2022-03-14
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	193.019, 225.150, 95.520
Unit cell angles	90.00, 96.16, 90.00

Refinement procedure

Resolution	33.640 - 2.850
R-factor	0.2133
Rwork	0.211
R-free	0.24990
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]	34.050	34.050	2.900
High resolution limit [Å]	2.850	15.610	2.850
Rmerge	0.151	0.053	0.712
Rmeas	0.177	0.063	0.833
Rpim	0.091	0.034	0.431
Total number of observations	353905	1782	17109
Number of reflections	94154	536	4655
<I/σ(I)>	6.6	17.6	1.7
Completeness [%]	99.9	89.9	100
Redundancy	3.8	3.3	3.7
CC(1/2)	0.984	0.992	0.326

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	0.2M Ammonium citrate tribasic pH 7.0, 0.1M Imidazole pH 7.0, 20% w/v Polyethylene glycol monomethyl ether