4ZBO

Streptomyces bingchenggensis acetoacetate decarboxylase in non-covalent complex with potassium formate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97896
Spacegroup name	P 21 21 2
Unit cell lengths	157.900, 124.400, 53.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.580 - 1.400
R-factor	0.1554
Rwork	0.155
R-free	0.17470
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.122
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Refinement software	PHENIX (dev_1702)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.580	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.071	0.576
Number of reflections	204720
<I/σ(I)>	20.5	2.2
Completeness [%]	99.9	99.5
Redundancy	7.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.1	295	3.4-3.7 M Potassium formate, 0.1 M bis-tris propane pH 9.1