3WJK

Crystal structure of Octaprenyl Pyrophosphate synthase from Escherichia coli

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	2012-08-26
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	116.946, 128.390, 46.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.200
Rwork	0.228
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mzv
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.058	0.517
Number of reflections	36336
<I/σ(I)>	27.5	3
Completeness [%]	99.8	99.4
Redundancy	3.9	3.9

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