5YVU

Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	53.059, 85.627, 85.508
Unit cell angles	90.00, 97.95, 90.00

Refinement procedure

Resolution	47.704 - 2.491
R-factor	0.2241
Rwork	0.222
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vbc
RMSD bond length	0.002
RMSD bond angle	0.646
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.580
High resolution limit [Å]	2.491	2.491
Rmerge	0.118	0.545
Rmeas	0.139	0.139
Number of reflections	50500	2458
<I/σ(I)>	14.03	1.87
Completeness [%]	94.8	92.82
Redundancy	3.4	3.2
CC(1/2)	0.917	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	0.1M MES pH 6.4, 12% PEG6000