7RQG

Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	41.590, 49.141, 54.630
Unit cell angles	80.22, 89.65, 77.94

Refinement procedure

Resolution	28.050 - 2.170
R-factor	0.1991
Rwork	0.197
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2 model
RMSD bond length	0.002
RMSD bond angle	0.453
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.220
High resolution limit [Å]	2.170	2.180
Rmerge	0.104	0.661
Rpim	0.073	0.487
Number of reflections	19504	960
<I/σ(I)>	15.26	1.64
Completeness [%]	90.5	89.2
Redundancy	2.9	2.7
CC(1/2)	0.987	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1.1 sodium citrate, M, 0.1 M Hepes pH 7.5; Cryoprotectant paratone