6URV

Crystal structure of Yellow Fever Virus NS2B-NS3 protease domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9866
Spacegroup name	P 1 21 1
Unit cell lengths	60.019, 151.670, 60.255
Unit cell angles	90.00, 111.27, 90.00

Refinement procedure

Resolution	29.200 - 2.900
R-factor	0.2532
Rwork	0.252
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fom
RMSD bond length	0.007
RMSD bond angle	1.035
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.200	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	22135	2232
<I/σ(I)>	7.22
Completeness [%]	98.0
Redundancy	6.5
CC(1/2)	0.320	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Tris pH 8.5, 0.1 M LiCl and 25% PEG 6000