7MZM

SARS-CoV-2 receptor binding domain bound to Fab PDI 215

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	2021-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953717
Spacegroup name	C 2 2 21
Unit cell lengths	95.801, 120.325, 128.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.900 - 2.300
R-factor	0.2184
Rwork	0.216
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3965)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.748	48.748	2.440
High resolution limit [Å]	2.300	6.830	2.300
Rmerge	0.164	0.073	1.624
Rmeas	0.171	0.076	1.686
Total number of observations	452899
Number of reflections	33371	1373	5266
<I/σ(I)>	11.58	28.91	2
Completeness [%]	99.8	99.6	98.8
Redundancy	13.572	12.132	13.724
CC(1/2)	0.997	0.995	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	in 12% isopropanol, 12% PEG4000, 0.1 M tri sodium citrate pH 5.6