3N0G

Crystal Structure of Isoprene Synthase from Grey Poplar Leaves (Populus x canescens) in complex with three Mg2+ ions and dimethylallyl-S-thiolodiphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Detector technology	CCD
Collection date	2009-11-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 43 21 2
Unit cell lengths	155.014, 155.014, 143.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.400 - 2.800
R-factor	0.198
Rwork	0.198
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n0f
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.135	0.628
Number of reflections	43749
<I/σ(I)>		3.3
Completeness [%]	100.0	99.9
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	100 mM Bis-Tris, 25% polyethylene glycol 3350, 200 mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K