3ELY

Wesselsbron virus Methyltransferase in complex with AdoHcy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	49.715, 66.436, 91.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.550 - 2.400
R-factor	0.19018
Rwork	0.187
R-free	0.25639
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3elu
RMSD bond length	0.008
RMSD bond angle	1.088
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.700	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.086	0.216
Number of reflections	12259
<I/σ(I)>	18.7	6.7
Completeness [%]	99.6	100
Redundancy	5.8	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	27% PEG 4000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K