7V1G

Crystal structure of Omsk hemorrhagic fever virus NS5 MTase (with a GMP-Arg28 adduct and in complex with SAM)

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	2020-12-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 1 21 1
Unit cell lengths	35.125, 89.685, 45.452
Unit cell angles	90.00, 90.47, 90.00

Refinement procedure

Resolution	32.710 - 1.380
R-factor	0.2019
Rwork	0.200
R-free	0.22750
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	1.430
High resolution limit [Å]	1.380	2.970	1.380
Rmerge	0.091	0.074	0.482
Rmeas	0.102	0.084	0.531
Rpim	0.045	0.039	0.219
Total number of observations	342078
Number of reflections	57331	5793	5506
<I/σ(I)>	8.4
Completeness [%]	99.4	98.9	96.2
Redundancy	6	4.9	5.4
CC(1/2)		0.991	0.921

Crystallization Conditions

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