7MZK

SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 96

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	71.898, 103.561, 106.290
Unit cell angles	103.52, 101.82, 98.20

Refinement procedure

Resolution	49.327 - 2.250
R-factor	0.1983
Rwork	0.197
R-free	0.23510
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]	49.330	49.326	2.380
High resolution limit [Å]	2.250	6.690	2.250
Rmerge	0.108	0.041	0.735
Rmeas	0.126	0.048	0.858
Number of reflections	133496	5107	21202
<I/σ(I)>	8.13	25.43	1.63
Completeness [%]	98.2	98.6	96.8
Redundancy	3.659	3.548	3.726
CC(1/2)	0.995	0.998	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M Tri-sodium citrate pH 5.5, 10% PEG8000