7V1J

Crystal structure of Omsk hemorrhagic fever virus NS5 MTase (in complex with SAH and m7GpppA)

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	2018-01-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	34.965, 89.639, 43.901
Unit cell angles	90.00, 91.38, 90.00

Refinement procedure

Resolution	34.950 - 1.980
R-factor	0.1642
Rwork	0.162
R-free	0.19800
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	2.050
High resolution limit [Å]	1.980	4.260	1.980
Rmerge	0.064	0.048	0.271
Rmeas	0.075	0.056	0.320
Rpim	0.039	0.030	0.168
Total number of observations	66295
Number of reflections	18539	1925	1817
<I/σ(I)>	14.6
Completeness [%]	96.9	98.2	94.5
Redundancy	3.6	3.7	3.2
CC(1/2)		0.993	0.931

Crystallization Conditions

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