6OAG

Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82

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	PIXEL
Collection date	2019-02-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	111.350, 111.350, 76.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.740 - 2.300
R-factor	0.19569
Rwork	0.193
R-free	0.24145
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4xqr
RMSD bond length	0.018
RMSD bond angle	1.685
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0238)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.860	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	1.631
Rmeas	0.069	1.707
Rpim	0.020	0.496
Number of reflections	21951	1069
<I/σ(I)>	18.8	1.7
Completeness [%]	99.6	97.3
Redundancy	12.7	11.5
CC(1/2)	1.000	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.075 M HEPES, 0.6 M potassium phosphate, 0.6 M sodium phosphate, 25% glycerol