6YLA

Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 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	2020-04-01
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	163.124, 163.124, 189.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.310 - 2.420
R-factor	0.2139
Rwork	0.213
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j 4kmt 5i1d 6ym0
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.800	2.460
High resolution limit [Å]	2.420	2.420
Rmerge	0.303
Rpim	0.034
Number of reflections	97407	4803
<I/σ(I)>	11.6
Completeness [%]	100.0
Redundancy	78.7
CC(1/2)	0.997	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium malonate, 0.1 M Tris pH 8.0 and 30% w/v Polyethylene glycol 1,000