7KEH

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	2020-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9794
Spacegroup name	P 63
Unit cell lengths	150.920, 150.920, 111.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.650 - 2.590
R-factor	0.189
Rwork	0.187
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x1b
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.650	84.650	2.743
High resolution limit [Å]	2.590	7.517	2.590
Rmerge	1.031	0.495	3.288
Rmeas	1.049	0.503	3.345
Rpim	0.192	0.091	0.608
Number of reflections	37814	1890	1889
<I/σ(I)>	7.6
Completeness [%]	94.8	99.8	60.3
Redundancy	29.8	30.4	30.1
CC(1/2)	0.990	0.989	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	20 % w/v Polyethylene glycol 3350, 100 mM BIS-TRIS propane, pH 6.5, 200 mM Sodium sulfate