3ICN

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

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	2005-10-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1
Spacegroup name	P 61 2 2
Unit cell lengths	57.976, 57.976, 389.756
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.970 - 2.400
R-factor	0.178
Rwork	0.175
R-free	0.24300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.018
RMSD bond angle	1.735
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.079	0.047	0.239
Number of reflections	16079
<I/σ(I)>	11.6
Completeness [%]	97.0	95.5	87.7
Redundancy	4	4.1	2.2

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