7V1D

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

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	2019-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	35.182, 90.752, 44.495
Unit cell angles	90.00, 91.13, 90.00

Refinement procedure

Resolution	35.180 - 1.870
R-factor	0.1654
Rwork	0.164
R-free	0.20560
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	1.940
High resolution limit [Å]	1.870	4.030	1.870
Rmerge	0.055	0.036	0.488
Rmeas	0.067	0.044	0.589
Rpim	0.037	0.025	0.326
Total number of observations	73736
Number of reflections	22759	2281	2279
<I/σ(I)>	12.7
Completeness [%]	99.2	97.4	99.4
Redundancy	3.2	3	3.1
CC(1/2)		0.993	0.844

Crystallization Conditions

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