5YVY

Crystal structure of unlinked full length NS3 protein (eD4NS2BNS3) from DENV4 in closed conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	52.900, 88.770, 81.450
Unit cell angles	90.00, 93.85, 90.00

Refinement procedure

Resolution	42.966 - 3.200
R-factor	0.2081
Rwork	0.205
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.606
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.200	3.460
High resolution limit [Å]	3.200	3.200
Rmerge	0.123	0.793
Rmeas	0.169	1.084
Rpim	0.115	0.735
Number of reflections	10645	2412
<I/σ(I)>	6.9	1.4
Completeness [%]	84.8	93.8
Redundancy	3.4	3.5
CC(1/2)	0.984	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	0.1 M MES pH 6.4, 10% PEG 6000