2OOS

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
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	131.221, 131.221, 83.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.850 - 2.100
R-factor	0.19402
Rwork	0.192
R-free	0.22747
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1NHD
RMSD bond length	0.018
RMSD bond angle	1.804
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]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	42970
Completeness [%]	99.9	100
Redundancy		7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	2.35M (NH4)2SO4, 0.1M AcONa, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K