3LVS

Crystal structure of farnesyl diphosphate synthase from rhodobacter capsulatus sb1003

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	93
Detector technology	CCD
Collection date	2010-01-23
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	54.456, 89.464, 132.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.21759
Rwork	0.217
R-free	0.25041
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.232
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge		0.790
Number of reflections	36089
<I/σ(I)>	5.9	0.9
Completeness [%]	99.8	100
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	20% PEG8000, 50MM POTASSIUM DIHYDROGEN PHOSPHATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, pH 7.5