2PTG

Crystal structure of Eimeria tenella enoyl reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-15
Detector	BRUKER SMART 2000
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	105.260, 105.260, 92.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.680 - 2.600
R-factor	0.232
Rwork	0.232
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Brassica napus ENR (1ENP)
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.090	0.539
Number of reflections	18683
<I/σ(I)>	17.7	2.2
Completeness [%]	99.8	99.8
Redundancy	6.8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	50mM Sodium Citrate (pH5), 5% (v/v) polyethylene glycol 400, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K