4IIN

Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-08
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	128.923, 112.094, 70.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.870 - 2.400
R-factor	0.2185
Rwork	0.217
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3osu
RMSD bond length	0.013
RMSD bond angle	1.546
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Rmerge	0.089
Number of reflections	40094
<I/σ(I)>	17.2
Completeness [%]	97.1
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.2 M potassium acetate, 25% PEG3350, VAPOR DIFFUSION, temperature 289K