6R4V

Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	68.450, 153.010, 198.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.647 - 2.202
R-factor	0.1811
Rwork	0.179
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q80
RMSD bond length	0.005
RMSD bond angle	0.787
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.647	2.330
High resolution limit [Å]	2.200	2.200
Rmeas	0.170
Number of reflections	106264	16812
<I/σ(I)>	8.51
Completeness [%]	99.8	99
Redundancy	6.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	0.1 M sodium formate, 12% w/v PEG 3350.Soaked with mother liquor + 350 uM ibandronate.