2PX8

Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH and 7M-GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95350
Spacegroup name	P 21 21 21
Unit cell lengths	67.579, 87.445, 100.914
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.16869
Rwork	0.166
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2px2
RMSD bond length	0.007
RMSD bond angle	1.379
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.126	0.472
Number of reflections	29231
<I/σ(I)>	10.2	2.3
Completeness [%]	94.2	68.4
Redundancy	6	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Sodium chloride, 0.1 M Bis-Tris pH 6.5, 25 % w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K