3WJN

Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli with farnesyl S-thiol-pyrophosphate (FSPP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-30
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	116.742, 128.239, 46.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.600
Rwork	0.218
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wjk
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.085	0.454
Number of reflections	22242
<I/σ(I)>	24
Completeness [%]	99.8	99.7
Redundancy	4.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.3M Magnesium chloride hexahydrate, 0.1M Tris-HCl pH 8.5, 24% w/v polyethylene glycol 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 298K