3N0F

Crystal Structure of Isoprene Synthase from Grey Poplar Leaves (Populus x canescens)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	200
Detector technology	CCD
Collection date	2009-06-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	155.421, 155.421, 142.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.100 - 2.700
R-factor	0.232
Rwork	0.198
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n1b
RMSD bond length	0.007
RMSD bond angle	1.100
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.148	0.654
Number of reflections	48217
<I/σ(I)>	13.9	3.3
Completeness [%]	99.8	100
Redundancy	8.1	8.2

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