7FJT

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

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	2017-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	35.194, 89.540, 45.865
Unit cell angles	90.00, 91.08, 90.00

Refinement procedure

Resolution	32.030 - 1.400
R-factor	0.1713
Rwork	0.171
R-free	0.18660
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]	60.000	60.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.044	0.035	0.292
Rmeas	0.053	0.042	0.363
Rpim	0.028	0.022	0.210
Total number of observations	174155
Number of reflections	52941	5478	4123
<I/σ(I)>	21.7
Completeness [%]	95.4	97.1	74.8
Redundancy	3.3	3.4	2.5
CC(1/2)		0.997	0.921

Crystallization Conditions

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