4R05

Crystal structure of the refolded DENV3 methyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	44.688, 48.386, 68.073
Unit cell angles	79.11, 78.75, 69.71

Refinement procedure

Resolution	33.092 - 2.100
R-factor	0.2526
Rwork	0.250
R-free	0.30720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p8z
RMSD bond length	0.004
RMSD bond angle	0.821
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.123	0.450
Number of reflections	28779
<I/σ(I)>	3.9	1.3
Completeness [%]	94.9	92.7
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	50 mM sodium citrate, pH 5.6, 24-30% PEG 4,000, 5% saturated ammonium sulfate, 10% glycerol, 0-20% DMSO, and 5 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K