7P19

Crystal structure of SARS-CoV-2 RBD Q498Y complexed with human ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.591, 165.037, 228.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.990 - 3.240
R-factor	0.2338
Rwork	0.231
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	autoPROC (1.0.5)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	133.825	3.292
High resolution limit [Å]	3.236	3.236
Rmerge	0.256	1.848
Rmeas	0.284	2.033
Rpim	0.121	0.838
Number of reflections	37398	1827
<I/σ(I)>	7.4	1.1
Completeness [%]	99.4	99.9
Redundancy	5.4
CC(1/2)	0.989	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M sodium phosphate pH 6.5, 12% w/v PEG 8000