4QXS

Crystal structure of human FPPS in complex with WC01088

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	2014-07-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	110.650, 110.650, 77.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.210 - 1.900
R-factor	0.17145
Rwork	0.170
R-free	0.20649
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2f7m
RMSD bond length	0.020
RMSD bond angle	1.866
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0073)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.210	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.041	1.177
Number of reflections	38434
<I/σ(I)>	28.2	2.9
Completeness [%]	99.4	98.6
Redundancy	9.7	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	1.6 M ammonium phosphate, 20% glycerol, 0.08 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K