4PN3

Crystal structure of 3-hydroxyacyl-CoA-dehydrogenase from Brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 43
Unit cell lengths	72.840, 72.840, 350.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 2.150
R-factor	0.23685
Rwork	0.236
R-free	0.26393
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tpc
RMSD bond length	0.013
RMSD bond angle	1.479
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.095	0.431
Number of reflections	96319
<I/σ(I)>	11	3.6
Completeness [%]	97.8	99.6
Redundancy	4.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	JCSG+ f4: 0.1M Hepes pH6.5, 20% Jeffamine