7MZF

SARS-CoV-2 receptor binding domain bound to Fab PDI 37

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	2021-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953725
Spacegroup name	C 2 2 21
Unit cell lengths	83.919, 147.665, 146.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.457 - 2.493
R-factor	0.1872
Rwork	0.185
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.700	48.700	2.640
High resolution limit [Å]	2.490	7.380	2.490
Rmerge	0.171	0.052	1.586
Rmeas	0.180	0.056	1.668
Total number of observations	325436
Number of reflections	31884	1336	4951
<I/σ(I)>	11.33	33.23	1.44
Completeness [%]	99.5	99.3	96.9
Redundancy	10.207	9.062	10.288
CC(1/2)	0.997	0.998	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M ammonium sulphate, 20% PEG3350, 0.1 M Tris chloride pH 8.5