4KQ5

Crystal Structure of Human Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg and Zoledronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	111.650, 111.650, 67.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.500 - 2.400
R-factor	0.1882
Rwork	0.185
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cp6
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.640	32.640	2.530
High resolution limit [Å]	2.400	2.530	2.400
Rmerge	0.113	0.113	0.648
Number of reflections	17364
<I/σ(I)>	10.2	10.2	2
Completeness [%]	100.0	100	99.9
Redundancy	6.5	6.5	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2M NH4Cl, 20% PEG6000, 10% Ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K