3BAL

Crystal Structure of an Acetylacetone Dioxygenase from Acinetobacter johnsonii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.8033
Spacegroup name	P 1
Unit cell lengths	43.200, 57.200, 62.930
Unit cell angles	69.85, 74.32, 69.71

Refinement procedure

Resolution	25.000 - 1.950
Rwork	0.183
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.336
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (1.18)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.036	0.113
Number of reflections	37241
<I/σ(I)>	16.1
Completeness [%]	97.8	88.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1M Tris HCl, 40% PEG 3350, 0.2M Sodium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1M Tris HCl, 40% PEG 3350, 0.2M Sodium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K