7MZH

SARS-CoV-2 receptor binding domain bound to Fab WCSL 119

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	93.704, 72.833, 103.988
Unit cell angles	90.00, 90.71, 90.00

Refinement procedure

Resolution	45.701 - 2.100
R-factor	0.2221
Rwork	0.220
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.850	46.850	2.140
High resolution limit [Å]	2.100	10.910	2.100
Rmerge	0.073	0.025	0.820
Rmeas	0.081	0.029	0.920
Rpim	0.035	0.013	0.411
Total number of observations	416245	2983	22048
Number of reflections	81929	631	4526
<I/σ(I)>	11.8	39.9	1.8
Completeness [%]	99.9	98.6	99.9
Redundancy	5.1	4.7	4.9
CC(1/2)	0.999	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14% PEG3350, 0.2 M potassium thiocyanate