7VMV

Crystal structure of Dengue NS2B-NS3 Protease after secondary cleavage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	F 2 3
Unit cell lengths	259.984, 259.984, 259.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 3.351
Rwork	0.226
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vbc
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.330	3.471
High resolution limit [Å]	3.351	3.351
Number of reflections	20533	2084
<I/σ(I)>	10
Completeness [%]	97.7
Redundancy	1.8
CC(1/2)	0.998	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	1.7 M Sodium malonate, pH 5.0