7D6N

Crystal structure of tick-borne encephalitis virus RNA-dependent RNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	175.988, 235.181, 327.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.987 - 3.168
R-factor	0.1972
Rwork	0.195
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6m
RMSD bond length	0.011
RMSD bond angle	1.326
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829_000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.270
High resolution limit [Å]	3.160	6.800	3.160
Rmerge	0.082	0.026	0.642
Rmeas	0.098	0.031	0.770
Rpim	0.054	0.017	0.419
Total number of observations	721646
Number of reflections	225446	22501	22607
<I/σ(I)>	9.3
Completeness [%]	98.3	94.9	99.5
Redundancy	3.2	3.1	3.3
CC(1/2)		0.999	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	278	5/4 PO/OH, magnesium sulfate