7C8W

Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-10
Detector	PSI PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	73.691, 73.691, 158.577
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.710 - 2.770
R-factor	0.211
Rwork	0.205
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
RMSD bond length	0.009
RMSD bond angle	1.008
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.710	2.920
High resolution limit [Å]	2.770	2.770
Rmerge	0.276	2.222
Rpim	0.062	0.494
Number of reflections	13308	1909
<I/σ(I)>	11.1	1.5
Completeness [%]	100.0	99.9
Redundancy	21	20.8
CC(1/2)	0.997	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M magnesium formate dihydrate, 20% w/v polyethylene glycol 3350