9X7T

Dengue 3 NS5 methyltransferase bound to S-Adenosyl-L-homocysteine and Herbacetin

This is a non-PDB format compatible entry.

Replaces:  8ZMC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-06
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	59.966, 185.044, 50.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.880 - 2.800
R-factor	0.2258
Rwork	0.222
R-free	0.29870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.421
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.880	3.020
High resolution limit [Å]	2.800	2.800
Rmeas		0.900
Number of reflections	20387	2245
<I/σ(I)>	10.6	5
Completeness [%]	99.9	100
Redundancy	20
CC(1/2)	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293.15	25% PEG 8000 100 mM Tris 200 mM NaCl 20 mM Trisodium citrate