7MZG

SARS-CoV-2 receptor binding domain bound to Fab PDI 42

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	2021-01-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	C 2 2 21
Unit cell lengths	82.265, 150.773, 145.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.867 - 2.000
R-factor	0.2021
Rwork	0.200
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
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]	48.633	48.633	2.120
High resolution limit [Å]	2.000	5.940	2.000
Rmerge	0.101	0.041	0.957
Rmeas	0.109	0.045	1.032
Total number of observations	426407
Number of reflections	61570	2511	9662
<I/σ(I)>	11.82	37.39	1.54
Completeness [%]	99.7	99.6	98.1
Redundancy	6.926	6.383	7.062
CC(1/2)	0.998	0.998	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	10% PEG8000, 0.2 M NaCl, 0.1 M sodium dihydrogen-dipotassium hydrogen phosphate pH 6.2