7V1I

Crystal structure of Omsk hemorrhagic fever virus NS5 MTase (with an m7GMP-Arg28 adduct and in complex with SAH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	35.232, 89.977, 45.686
Unit cell angles	90.00, 91.25, 90.00

Refinement procedure

Resolution	27.730 - 2.060
R-factor	0.2163
Rwork	0.214
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6m
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.072	0.047	0.330
Rmeas	0.080	0.052	0.364
Rpim	0.034	0.021	0.151
Total number of observations	93708
Number of reflections	15952	1806	1330
<I/σ(I)>	12.5
Completeness [%]	89.2	99.5	75.1
Redundancy	5.9	6.3	5.5
CC(1/2)		0.997	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.6	289	isopropanol, trisodium citrate, PEG 4000, glycerol