6G31

Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y bound to zoledronate

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	2018-02-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	116.800, 134.240, 134.460
Unit cell angles	90.00, 102.67, 90.00

Refinement procedure

Resolution	48.619 - 3.000
R-factor	0.2586
Rwork	0.256
R-free	0.30470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q80
RMSD bond length	0.009
RMSD bond angle	1.176
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.619	2.793
High resolution limit [Å]	2.779	2.779
Rmerge	0.222
Number of reflections	98986
<I/σ(I)>	4.57
Completeness [%]	97.1
Redundancy	3.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.18M magnesium acetate tetrahydrate, 18% w/v PEG 3350, 0.18M sodium thiocyanate