3EVB

Crystal structure of yellow fever virus methyltransferase complexed with S-adenosyl-L-homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-09
Detector	NOIR-1
Wavelength(s)	1.127
Spacegroup name	P 65
Unit cell lengths	105.071, 105.071, 51.495
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.204
Rwork	0.204
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l9k
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	1.950
High resolution limit [Å]	1.850	1.850
Number of reflections	51678
<I/σ(I)>	8.7	2.4
Completeness [%]	100.0	100
Redundancy	6.17	6.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	25% v/v MPD, 0.1 M Tris-HCl pH 8.5, 2 mM DTT, 0.02% w/v Sodium azide, VAPOR DIFFUSION, HANGING DROP, temperature 289K