3VC2

Crystal structure of geranyl diphosphate C-methyltransferase from Streptomyces coelicolor A3(2) in complex with Mg2+, geranyl diphosphate, and S-adenosyl-L-homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	98.128, 103.252, 204.132
Unit cell angles	90.00, 99.05, 90.00

Refinement procedure

Resolution	48.891 - 2.046
R-factor	0.1817
Rwork	0.181
R-free	0.22220
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3vc1
RMSD bond length	0.007
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.046	2.046
Rmerge	0.109	0.574
Number of reflections	246191
<I/σ(I)>	10.2	2.1
Completeness [%]	97.4	97.3
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	100 mM Bis-Tris (pH 6.5), 25% polyethylene glycol 3350, 200 mM (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 294K