4LPH

Crystal structure of human FPPS in complex with CL03093

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	111.120, 111.120, 77.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.060 - 2.300
R-factor	0.18558
Rwork	0.183
R-free	0.22587
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2f7m
RMSD bond length	0.017
RMSD bond angle	1.795
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.7.0032)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.060	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.055	0.411
Number of reflections	21643
<I/σ(I)>	22.3	4.8
Completeness [%]	98.4	99.1
Redundancy	9.4	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295.15	17% PEG10000, 6.8% ethylene glycol, 15% glycerol, 0.085 M HEPES, microseeding (see primary citation for details), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.15K