5CG5

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

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	2013-11-17
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	111.966, 111.966, 72.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.570 - 2.400
R-factor	0.1878
Rwork	0.186
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yv5
RMSD bond length	0.006
RMSD bond angle	0.919
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.070	2.490	1.420
High resolution limit [Å]	1.400	2.400	1.400
Rmerge	0.062	0.612	0.482
Number of reflections	87200
Completeness [%]	96.2	98	95.9
Redundancy	7.1	2.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.5M NaCl, 0.1M acetate buffer
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.5M NaCl, 0.1M acetate buffer