4GA3

Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	298
Detector technology	CCD
Collection date	2011-10-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	112.290, 112.290, 68.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.510 - 2.390
R-factor	0.2077
Rwork	0.204
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f8z
RMSD bond length	0.016
RMSD bond angle	1.937
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	17314
Completeness [%]	97.4	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	1.2M Na/K phosphate, 25% glycerol, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K