7MZI

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

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	2020-12-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	I 1 2 1
Unit cell lengths	106.562, 71.896, 113.688
Unit cell angles	90.00, 108.32, 90.00

Refinement procedure

Resolution	44.550 - 1.850
R-factor	0.1758
Rwork	0.174
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (dev_3965)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.550	44.550	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.079	0.026	0.822
Rmeas	0.093	0.031	0.966
Rpim	0.049	0.016	0.504
Total number of observations	243523	2129	15191
Number of reflections	69190	618	4230
<I/σ(I)>	9.6	32.7	1.6
Completeness [%]	99.3	97.9	98.6
Redundancy	3.5	3.4	3.6
CC(1/2)	0.998	0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	18% PEG3350, 0.1 M tri sodium citrate pH 5.5