5IKM

1.9 Angstrom Crystal Structure of NS5 Methyl Transferase from Dengue Virus 1 in Complex with S-Adenosylmethionine and Beta-D-Fructopyranose.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	58.380, 86.230, 144.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.190 - 1.900
R-factor	0.15449
Rwork	0.153
R-free	0.18422
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4v0q
RMSD bond length	0.010
RMSD bond angle	1.505
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.111	0.641
Number of reflections	29015
<I/σ(I)>	16.2	3.9
Completeness [%]	99.3	100
Redundancy	5.9	5.9
CC(1/2)	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	Protein: 6.8 mg/ml, 0.25M Sodium chloride, 0.1M Tris HCl (pH 8.3); Screen: JCSG+ (E2), 0.2M Sodium chloride, 0.1M Sodium cacodylate (pH 6.5) 2M Ammonium sulfate; Cryo: 4M Ammonium sulfate : 50% Sucrose (1:1).