4JVJ

Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate

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	2013-02-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	111.330, 111.330, 67.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.840 - 2.800
R-factor	0.23845
Rwork	0.236
R-free	0.28828
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4dem
RMSD bond length	0.011
RMSD bond angle	1.434
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.7.0029)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.073	0.260
Number of reflections	10724
<I/σ(I)>	27.3	6.6
Completeness [%]	98.6	99.6
Redundancy	9.5	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295.15	8% PEG8000, 0.1 M TRIS, 0.2 M magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K