5YXA

Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	58.291, 114.104, 139.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.612 - 2.100
R-factor	0.2246
Rwork	0.223
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iy3
RMSD bond length	0.005
RMSD bond angle	0.995
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.108
Number of reflections	55378	5462
<I/σ(I)>	22.2	2.6
Completeness [%]	100.0	99.9
Redundancy	11	11.2
CC(1/2)	0.996	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.0M Tris, 1.0M Bicine pH 8.5, 0.12M of an alcohols (0.2M 1,6-hexanediol, 0.2M 1-butanol, 0.2M 1,2-propanediol, 0.2M 2-propanol, 0.2M 1,4-butanediol, 0.2M 1,3-propanediol), 18% PEG-MME 500, 18% PEG 20K