7V1B

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

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	2018-04-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	35.145, 88.067, 45.709
Unit cell angles	90.00, 90.96, 90.00

Refinement procedure

Resolution	27.640 - 1.450
R-factor	0.173
Rwork	0.172
R-free	0.18810
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	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.051	0.030	0.247
Rmeas	0.066	0.039	0.335
Rpim	0.040	0.024	0.224
Total number of observations	91677
Number of reflections	44137	4215	4221
<I/σ(I)>	8.9
Completeness [%]	89.5	84	85.5
Redundancy	2.1	2.3	1.6
CC(1/2)		0.993	0.853

Crystallization Conditions

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