5EIF

DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 2
Unit cell lengths	60.920, 184.870, 51.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.960 - 1.500
R-factor	0.1632
Rwork	0.162
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p97
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	XDS ((VERSION December 6)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.870	1.504
High resolution limit [Å]	1.499	1.499
Rmerge	0.064
Number of reflections	92363
<I/σ(I)>	12.8
Completeness [%]	98.0	93.4
Redundancy	3.5	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	25% PEG 8000 100mM Tris 200mM NaCl 20mM Trisodium citrate