2PD4

Crystal Structure of the Helicobacter pylori Enoyl-Acyl Carrier Protein Reductase in Complex with Hydroxydiphenyl Ether Compounds, Triclosan and Diclosan

Replaces:  1JW7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-12-13
Detector	MAC Science DIP-2030
Wavelength(s)	1.0072
Spacegroup name	P 1 21 1
Unit cell lengths	73.253, 95.072, 75.019
Unit cell angles	90.00, 106.53, 90.00

Refinement procedure

Resolution	28.950 - 2.300
R-factor	0.224
Rwork	0.224
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID code 1DFI
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.000
High resolution limit [Å]	2.300
Number of reflections	39424
Completeness [%]	89.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	296	100mM sodium acetate buffer, pH 4.8, 100mM ammonium sulfate, 23%(w/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K