4PVY

Crystal structure of human FPPS in complex with [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-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	2014-01-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	111.060, 111.060, 67.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	111.060 - 2.050
R-factor	0.1622
Rwork	0.160
R-free	0.20573
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4h5c
RMSD bond length	0.019
RMSD bond angle	1.786
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]	111.060	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.067	0.397
Number of reflections	26578
<I/σ(I)>	44.1	2.5
Completeness [%]	98.8	90.9
Redundancy	32.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	1.7M sodium chloride, 15% glycerol, 0.085M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K