2OP0

Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	RIGAKU
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	132.305, 132.305, 82.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.660 - 2.800
R-factor	0.19122
Rwork	0.187
R-free	0.27371
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1NHD
RMSD bond length	0.041
RMSD bond angle	3.261
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	18311
<I/σ(I)>	21.69
Completeness [%]	97.7	99.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	2.35M (NH4)2SO4, 0.1M AcONa, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K