8WDS

Crystal structure of BF.7 RBD complexed with human ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	291
Detector technology	PIXEL
Collection date	2023-03-08
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.979
Spacegroup name	P 2 21 21
Unit cell lengths	122.695, 137.349, 154.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.420 - 3.400
R-factor	0.2336
Rwork	0.232
R-free	0.27110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.004
RMSD bond angle	0.681
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.520
High resolution limit [Å]	3.400	3.400
Number of reflections	33045	3299
<I/σ(I)>	1.1
Completeness [%]	90.7
Redundancy	4.5
CC(1/2)	0.991	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium chloride, 0.1 M Tris pH 8.0, 20% w/v PEG 6000 (MD1-29-1-43)