1UEH

E. coli undecaprenyl pyrophosphate synthase in complex with Triton X-100, magnesium and sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17B2
Synchrotron site	NSRRC
Beamline	BL17B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-11-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.962, 67.422, 111.756
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.750 - 1.730
R-factor	0.1776
Rwork	0.176
R-free	0.20800 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jp3
RMSD bond length	0.016
RMSD bond angle	22.200 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.730	1.730
Rmerge	0.084	0.496
Total number of observations	197849 *
Number of reflections	51195 *	5009 *
<I/σ(I)>	21.3	3
Completeness [%]	99.8	99.2
Redundancy	3.86	2.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	25 *	Triton X-100, magnesium chloride, ammonium sulfate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	cobalt chloride	0.01 (M)
2	1	reservoir	MES	0.1 (M)
3	1	reservoir	ammonium sulfate	1.8 (M)	pH6.5
4	1	drop	protein	10 (mg/ml)
5	1	drop	TritonX-100	2 (%)
6	1	drop		5 (mM)
7	1	drop	FPP	660000 (nM)