6X4I

Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate

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	2020-05-20
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 63
Unit cell lengths	150.940, 150.940, 111.858
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.190 - 1.850
R-factor	0.1669
Rwork	0.166
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vww
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.146	0.067	1.587
Rmeas	0.152	0.070	1.720
Rpim	0.041	0.019	0.648
Total number of observations	1578786
Number of reflections	122922	6288	6120
<I/σ(I)>	6.3
Completeness [%]	100.0	100	99.7
Redundancy	12.8	13.7	6.4
CC(1/2)		0.998	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	289	0.2M Sodium Chloride, 0.1M Sodium Potassium phosphate, 10% PEG8000