5JA0

Crystal structure of human FPPS with allosterically bound FPP

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	2014-09-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	110.890, 110.890, 77.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.590 - 1.900
R-factor	0.17401
Rwork	0.172
R-free	0.21080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2f7m
RMSD bond length	0.029
RMSD bond angle	2.403
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0123)
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.590	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.039	1.111
Number of reflections	38509
<I/σ(I)>	31.5	2.4
Completeness [%]	99.8	99
Redundancy	9.7	9.7
CC(1/2)	0.100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295.15	0.08 M TrisHCl, 1.6 M ammonium phosphate, 20% glycerol