2NQ8

Malarial enoyl acyl ACP reductase bound with INH-NAD adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	121
Detector technology	CCD
Detector	BRUKER SMART 2000
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	131.899, 131.899, 82.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.150 - 2.500
R-factor	0.2161
Rwork	0.216
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1NHD
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.150	2.630
High resolution limit [Å]	2.500	2.500
Rmerge		0.274
Number of reflections	24589
<I/σ(I)>		0.71
Completeness [%]	94.8	99.76
Redundancy		15.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	2.4M (NH4)2SO4, 0.1M MES ( PH 5.6), VAPOR DIFFUSION, HANGING DROP, temperature 289K