8ZMC

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-01
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 2 21 21
Unit cell lengths	50.877, 59.966, 185.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.892 - 2.800
Rwork	0.259
R-free	0.30250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r8r
RMSD bond length	0.007
RMSD bond angle	2.124
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.892	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.200
Number of reflections	20387	20387
<I/σ(I)>	13.8	4.6
Completeness [%]	99.9
Redundancy	19.6
CC(1/2)	0.992	0.897

Crystallization Conditions

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