5DJV

Crystal structure of human FPPS in complex with biaryl compound 8e

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	88
Detector technology	CCD
Collection date	2005-12-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	111.880, 111.880, 74.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.520 - 2.300
R-factor	0.2105
Rwork	0.209
R-free	0.24230
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS (September 26, 2012)
Data scaling software	XSCALE (November 3, 2014)
Phasing software	CNX (2005)
Refinement software	BUSTER-TNT (BUSTER 2.11.5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.069	0.026	1.421
Rmeas	0.074	0.028	1.540
Total number of observations	151724
Number of reflections	21202	266	1572
<I/σ(I)>	17.8	56.72	1.8
Completeness [%]	98.8	91.1	99.7
Redundancy			7.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	292	1.2M sodium potassium phosphate, 25% glycerol