4KQS

Crystal Structure of Farnesyl Pyrophosphate Synthase Mutant (Y204A) Complexed with Mg, Risedronate and Isopentenyl Pyrophosphate

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	111.590, 111.590, 66.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.130 - 1.970
R-factor	0.172
Rwork	0.170
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cp6
RMSD bond length	0.009
RMSD bond angle	0.890
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]	35.290	35.290	2.080
High resolution limit [Å]	1.970	2.080	1.970
Rmerge	0.163
Number of reflections	30003
<I/σ(I)>	10.3
Completeness [%]	99.8	99.8	99.8
Redundancy	9.1

Crystallization Conditions

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