8U2X

Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2 (H235A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-08
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 63
Unit cell lengths	151.372, 151.372, 108.745
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.550 - 2.250
R-factor	0.1883
Rwork	0.187
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5057: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	131.090	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.182	2.397
Rmeas	0.186	2.456
Rpim	0.041	0.533
Total number of observations	1412075	104324
Number of reflections	67209	4955
<I/σ(I)>	14.5	1.6
Completeness [%]	100.0
Redundancy	21	21.1
CC(1/2)	0.999	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpheus Fusion G4: 0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribsic dihydrate; 0.2M Potassium sodium tartrate tetrahydrate; 0.2M Sodium oxamate, 3% w/v NDSB 195, 3% w/v NDSB 201, 3% w/v NDSB 211,3% w/v NDSB 221, 3% w/v NDSB 256, 0.5M Tris (base); 0.5M BICINE pH 8.5, 40% v/v PEG 500 MME; 20 % w/v PEG 20000, BewuA.18928.a.MX152.PW39137 at 18 mg/mL. Plate 13311 well G4 drop2, Puck: PSL-0109, Cryo: Direct