2PG0

Crystal structure of acyl-CoA dehydrogenase from Geobacillus kaustophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97903
Spacegroup name	P 31 2 1
Unit cell lengths	119.276, 119.276, 124.452
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.206
Rwork	0.205
R-free	0.22600
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.111
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge		0.070	0.499
Number of reflections	94229
<I/σ(I)>	15.1
Completeness [%]	99.5	99.1	96.3
Redundancy	15.9	20.5	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.4	293	USING 4 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (7.75 mg/ml) AND RESERVOIR SOLUTION CONTAINING 40% v/v MPD, 0.10M CHES (pH 9.4), VAPOR DIFFUSION, SITTING DROP, temperature 293K