8ILC

Crystal structure of Se-Met CoV-Y domain of Nsp3 in SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97620
Spacegroup name	P 65
Unit cell lengths	108.014, 108.014, 53.909
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.710 - 2.200
R-factor	0.2119
Rwork	0.210
R-free	0.23920
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.225
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.770	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	18300	2638
<I/σ(I)>	19.3
Completeness [%]	99.9
Redundancy	19.8
CC(1/2)	0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	2 M Ammonium sulfate, 0.1M BIS-TRIS pH6.5, 2mM TCEP