1ZW1

Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2005-03-29
Detector	MACSCIENCE
Spacegroup name	P 43 21 2
Unit cell lengths	131.266, 131.266, 82.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.722 - 2.900
R-factor	0.228
Rwork	0.228
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nhd
Data reduction software	XDIP
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	29.722
High resolution limit [Å]	2.899
Number of reflections	16254

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 298K