7KF4

Crystal structure from SARS-CoV-2 NendoU NSP15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	P 2 21 21
Unit cell lengths	85.125, 151.163, 199.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.160 - 2.610
R-factor	0.22
Rwork	0.219
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x1b
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.160	2.703
High resolution limit [Å]	2.610	2.610
Number of reflections	78886	7756
<I/σ(I)>	8.24
Completeness [%]	99.7
Redundancy	13.8
CC(1/2)	0.998	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	293	0.1 M trisodium citrate pH 5, 14 % w/v PEG6000