5CCV

Crystal structure of full-length NS5 from dengue virus type 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-11-02
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.978720
Spacegroup name	P 32 2 1
Unit cell lengths	215.314, 215.314, 480.683
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.217 - 3.600
R-factor	0.2386
Rwork	0.238
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3P97 and 4HHJ
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	HKL-2000 (2.3.7)
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.660
High resolution limit [Å]	3.600	9.750	3.600
Rmerge	0.330	0.164
Rmeas	0.339	0.169
Rpim	0.097	0.039	0.866
Total number of observations	2458145
Number of reflections	149778
<I/σ(I)>	4.6
Completeness [%]	100.0	100	100
Redundancy	16.4	19	6.2
CC(1/2)		0.964	0.157

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	1.0 M succinic acid (pH 7.0), 0.1 M HEPES (pH 7.0), 1% PEG monomethylether 2000