6VSO

DengueV-2 Capsid Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-13
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97857
Spacegroup name	P 31 2 1
Unit cell lengths	142.000, 142.000, 67.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.302 - 3.001
R-factor	0.1896
Rwork	0.186
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vg5
Data reduction software	HKL-2000 (2.3.12)
Data scaling software	HKL-2000 (2.3.12)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.132	0.033	0.926
Rmeas	0.139	0.035	0.970
Rpim	0.042	0.011	0.290
Total number of observations	176644
Number of reflections	15870	857	785
<I/σ(I)>	5	47.65	2.83
Completeness [%]	100.0	100	100
Redundancy	11.1	10	11.1
CC(1/2)		0.997	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	3.0 M NaNO3, 100 mM HEPES pH 7.2, 5% glycerol