5DJR

Crystal structure of human FPPS in complex with biaryl compound 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-04
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 41 21 2
Unit cell lengths	111.320, 111.320, 77.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.090 - 2.400
R-factor	0.2047
Rwork	0.203
R-free	0.23460
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.020
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]	78.800		2.460
High resolution limit [Å]	2.400	10.720	2.400
Rmerge	0.105	0.036	1.284
Rmeas	0.109	0.038	1.387
Total number of observations	256333
Number of reflections	19004	262	1297
<I/σ(I)>	18.34	50.54	1.67
Completeness [%]	96.6	96.3	90.6
Redundancy	13.5		6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	292	1.2M sodium potassium phosphate, 25% glycerol