7V1C

Crystal structure of Omsk hemorrhagic fever virus NS5 MTase (in complex with SIN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	35.253, 91.102, 45.901
Unit cell angles	90.00, 91.31, 90.00

Refinement procedure

Resolution	45.550 - 1.950
R-factor	0.1759
Rwork	0.174
R-free	0.21640
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	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.071	0.044	0.413
Rmeas	0.087	0.053	0.508
Rpim	0.049	0.030	0.292
Total number of observations	55803
Number of reflections	20241	2053	2007
<I/σ(I)>	7.4
Completeness [%]	95.8	95	95.8
Redundancy	2.8	2.8	2.7
CC(1/2)		0.996	0.822

Crystallization Conditions

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