7CAN

Structure of sybody MR17-K99Y 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	2020-06-08
Detector	PSI PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	74.191, 74.191, 158.404
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.900 - 2.940
R-factor	0.2173
Rwork	0.214
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j 5m13
RMSD bond length	0.004
RMSD bond angle	0.679
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]	49.900	3.120
High resolution limit [Å]	2.940	2.940
Rmerge	0.227	1.714
Rpim	0.072	0.385
Number of reflections	11305	1780
<I/σ(I)>	12.4	1.9
Completeness [%]	99.9	99.6
Redundancy	18.4	19.3
CC(1/2)	0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M MgCl2, 20% PEG 3350