7V1H

Crystal structure of Omsk hemorrhagic fever virus NS5 MTase (in complex with SAM and m7GTP)

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	35.090, 91.092, 45.397
Unit cell angles	90.00, 91.09, 90.00

Refinement procedure

Resolution	28.020 - 2.000
R-factor	0.1671
Rwork	0.165
R-free	0.20140
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.071	0.055	0.251
Rmeas	0.078	0.060	0.277
Rpim	0.032	0.025	0.115
Total number of observations	110215
Number of reflections	19292	1961	1953
<I/σ(I)>	12.7
Completeness [%]	99.9	99.3	100
Redundancy	5.7	5.5	5.7
CC(1/2)		0.996	0.967

Crystallization Conditions

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