7MZL

SARS-CoV-2 receptor binding domain bound to Fab PDI 210

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	2021-02-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95374
Spacegroup name	P 4 21 2
Unit cell lengths	177.563, 177.563, 68.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.304 - 3.700
R-factor	0.2232
Rwork	0.222
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.304	46.300	4.050
High resolution limit [Å]	3.700	9.060	3.700
Rmerge	0.344	0.069	1.307
Rmeas	0.358	0.073	1.362
Rpim	0.099	0.021	0.378
Total number of observations		10988	37093
Number of reflections	12240	928	2874
<I/σ(I)>	7.5	27.2	2.3
Completeness [%]	99.9	99.2	100
Redundancy	12.9	11.8	12.9
CC(1/2)	0.995	0.998	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15% PEG6000, 0.1% (w/v) n-Octyl-b-D-glucoside