7MZJ

SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 93

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	2021-01-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 1
Unit cell lengths	39.038, 104.719, 127.272
Unit cell angles	88.72, 83.68, 82.80

Refinement procedure

Resolution	48.199 - 2.400
R-factor	0.2244
Rwork	0.222
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mzi
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.199	48.199	2.540
High resolution limit [Å]	2.400	7.130	2.400
Rmerge	0.096	0.030	0.790
Rmeas	0.113	0.036	0.930
Total number of observations	278333
Number of reflections	76559	2943	12144
<I/σ(I)>	9.28	33.07	1.48
Completeness [%]	98.4	98.9	97
Redundancy	3.636	3.642	3.596
CC(1/2)	0.997	0.999	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	23% PEG3350, 0.1 M sodium acetate pH 4.5