6YM0

Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1)

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	2020-03-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	150.474, 150.474, 241.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 4.360
Rwork	0.323
R-free	0.31880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j 4kmt 5i1d
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.500	4.440
High resolution limit [Å]	4.360	4.360
Rmerge	0.683
Rpim	0.097
Number of reflections	18822	931
<I/σ(I)>	4
Completeness [%]	100.0	100
Redundancy	51.5
CC(1/2)	0.952	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M Sodium malonate, 0.1 M Tris pH 8.0 and 30% w/v Polyethylene glycol 1,000.