4W9U

Crystal Structure of an Acyl-CoA dehydrogenase from Brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	82.020, 106.660, 99.390
Unit cell angles	90.00, 108.12, 90.00

Refinement procedure

Resolution	47.230 - 2.400
R-factor	0.1827
Rwork	0.180
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.173
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: dev_1769))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.080	0.024	0.557
Rmeas	0.091	0.027	0.629
Total number of observations	288458
Number of reflections	63306	742	4665
<I/σ(I)>	13.88	42.12	2.51
Completeness [%]	99.4	98.1	99.9
Redundancy	4.6		4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	JCSG(D2): 30% PEG-400, 100mM HEPES free acid/ NaOH, 200mM MgCl2