9T4P

Dengue 2 Virus NS2B-NS3 protease fusion protein with crystal epitope mutation K174Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976269
Spacegroup name	C 1 2 1
Unit cell lengths	123.486, 45.200, 40.460
Unit cell angles	90.00, 109.11, 90.00

Refinement procedure

Resolution	42.148 - 1.950
Rwork	0.226
R-free	0.29390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.720
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.150	1.980
High resolution limit [Å]	1.950	1.950
Number of reflections	15533	5242
<I/σ(I)>	10
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.999	0.357

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	LFS Eco well C09 0.1M HEPES pH 7, 0.2M Lithium chloride, 20% w/v PEG 6000, 10% v/v Ethylene glycol