4NFJ

Crystal structure of human FPPS in complex with magnesium, JDS05120, 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	2013-02-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	111.235, 111.235, 67.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.17549
Rwork	0.173
R-free	0.21250
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4dem
RMSD bond length	0.018
RMSD bond angle	1.891
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0049)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.060	0.472
Number of reflections	27177
<I/σ(I)>	31.3	4
Completeness [%]	99.4	98.6
Redundancy	9.5	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	25.5% PEG MME 2000, 0.17M ammonium sulfate, 15% glycerol, 0.09M sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K