4KPJ

Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9796
Spacegroup name	P 41 21 2
Unit cell lengths	111.310, 111.310, 66.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.840 - 1.950
R-factor	0.174
Rwork	0.172
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cp6
RMSD bond length	0.010
RMSD bond angle	0.880
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]	55.650	55.650	2.060
High resolution limit [Å]	1.950	2.060	1.950
Rmerge	0.139	0.139	1.012
Number of reflections	31105
<I/σ(I)>	10.4	10.4	2
Completeness [%]	100.0	100	100
Redundancy	8.8	8.8	8.3

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