4XQT

Crystal structure of human FPPS in complex with three magnesium ions

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	2013-05-29
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	110.340, 110.340, 78.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.140 - 2.100
R-factor	0.19292
Rwork	0.191
R-free	0.22684
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2f7m
RMSD bond length	0.018
RMSD bond angle	1.785
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0073)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.140	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.040	0.709
Number of reflections	28729
<I/σ(I)>	26.6	2.4
Completeness [%]	99.7	99.2
Redundancy	8	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295.15	1.36 M magnesium sulfate, 15% glycerol, 0.085 M MES