3ICZ

Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.97929
Spacegroup name	P 61 2 2
Unit cell lengths	58.398, 58.398, 391.809
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.940 - 2.150
R-factor	0.191
Rwork	0.188
R-free	0.25700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.021
RMSD bond angle	1.784
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.096	0.061	0.227
Number of reflections	21604
<I/σ(I)>	9
Completeness [%]	93.4	95.8	73.4
Redundancy	10.6	11.5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	PEG 4000, 200mM Ammonium Sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K