7EFR

Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97915
Spacegroup name	P 43 21 2
Unit cell lengths	139.578, 139.578, 156.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.284 - 2.494
R-factor	0.192
Rwork	0.190
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.126	1.173
Number of reflections	54217	5340
<I/σ(I)>	26
Completeness [%]	100.0
Redundancy	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	2.0 M Ammonium sulfate, 0.1 M Sodium HEPES pH7.5 , 2 % v/v PEG 400