5CG6

Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	293
Detector technology	CCD
Collection date	2014-06-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	111.627, 111.627, 72.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.119 - 2.400
R-factor	0.2613
Rwork	0.260
R-free	0.28660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cg5
RMSD bond length	0.007
RMSD bond angle	1.082
Data reduction software	STARGazer
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.310	2.490	1.730
High resolution limit [Å]	1.700	2.400	1.700
Rmerge	0.097	0.379	0.777
Number of reflections	49965
Completeness [%]	97.7	98.1	99.7
Redundancy	8.6	2.7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M NaCl, 0.08 M sodium acetate, 0.02 M acetic acid
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M NaCl, 0.08 M sodium acetate, 0.02 M acetic acid