4PVX

Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	111.260, 111.260, 69.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.340 - 2.180
R-factor	0.17229
Rwork	0.170
R-free	0.22008
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4h5c
RMSD bond length	0.017
RMSD bond angle	1.707
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0049)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.340	2.240
High resolution limit [Å]	2.180	2.180
Rmerge	0.062	0.653
Number of reflections	22981
<I/σ(I)>	53.8	3.5
Completeness [%]	98.6	98.9
Redundancy	19.7	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	5.6% PEG 4000, 30% glycerol, 0.07M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K