4RXA

Crystal structure of human farnesyl diphosphate synthase in complex with BPH-1358

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	298
Detector technology	CCD
Collection date	2014-08-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	110.757, 110.757, 77.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.320 - 2.200
R-factor	0.2234
Rwork	0.221
R-free	0.26290
RMSD bond length	0.018
RMSD bond angle	0.896
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASES
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.410	2.400
High resolution limit [Å]	2.200	2.200
Rmerge		0.472
Number of reflections	20748
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	1.2M NA/K phosphate, 25% glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K