2F8C

Crystal structure of FPPS in complex with Zoledronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	95
Detector technology	CCD
Collection date	2003-11-27
Detector	MARRESEARCH
Wavelength(s)	1.00003
Spacegroup name	P 41 21 2
Unit cell lengths	111.841, 111.841, 66.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.870 - 2.200
R-factor	0.222
Rwork	0.217
R-free	0.26800
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNX (2002)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.055	0.423
Number of reflections	21820
<I/σ(I)>	10.8
Completeness [%]	99.8	100
Redundancy	14.3

Crystallization Conditions

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