9MRY

Functional Implications of HexamericDynamics in SARS-CoV-2 Nsp15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	295
Detector technology	PIXEL
Collection date	2020-09-02
Detector	SLAC ePix10k 2M
Wavelength(s)	1.277
Spacegroup name	P 1 21 1
Unit cell lengths	153.400, 116.900, 153.400
Unit cell angles	90.00, 119.80, 90.00

Refinement procedure

Resolution	19.980 - 3.000
R-factor	0.2062
Rwork	0.199
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.435
Data reduction software	CrystFEL (v11.1)
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.110
High resolution limit [Å]	3.000	3.000
Number of reflections	93704	4412
<I/σ(I)>	2.7	0.8
Completeness [%]	100.0
Redundancy	83.32
CC(1/2)	0.890	0.040

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	295	NendoU protein 75 mg/ml (20 mM HEPES pH 7.5, 150mM NaCl, 1mM TCEP) is added to the precipitant solution (100mM Na Citrate pH 5.5, 20% PEG 1000, 20% 2-Methyl-2,4-pentanediol (MPD)) in a 1:7 protein:precipitant ratio with agitation at 295K overnight.