7DHX

Crystal structure of SARS-CoV-2 RBD binding to pangolin ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	139.996, 97.564, 90.982
Unit cell angles	90.00, 129.15, 90.00

Refinement procedure

Resolution	33.930 - 2.300
R-factor	0.1962
Rwork	0.194
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.003
RMSD bond angle	0.563
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	41945	39596
<I/σ(I)>	51.4
Completeness [%]	99.2
Redundancy	6.8
CC(1/2)	0.824	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.05M potassium phosphate, 20% w/v Polyethylene glycol 8000