7P8J

Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	89.900, 107.717, 251.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.516 - 6.585
R-factor	0.3195
Rwork	0.318
R-free	0.34500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vw1
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.420	7.260
High resolution limit [Å]	6.500	6.500
Rmerge	0.459	2.905
Number of reflections	5280	1424
<I/σ(I)>	2.8	0.4
Completeness [%]	99.7	99.2
Redundancy	8.5	8.9
CC(1/2)	0.979	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.9	293	0.2-0.25 M sodium thiocyanate, 18-23% PEG 3350, pH 6.9