6UX3

Crystal structure of acetoin dehydrogenase from Enterobacter cloacae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-05
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	64.070, 99.836, 82.217
Unit cell angles	90.00, 98.89, 90.00

Refinement procedure

Resolution	49.918 - 2.198
R-factor	0.1792
Rwork	0.176
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sj7
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.198	5.970	2.200
Rmerge	0.064	0.056	1.078
Rmeas	0.069	0.061	1.173
Rpim	0.026	0.023	0.457
Number of reflections	51666	2658	2583
<I/σ(I)>	11.6
Completeness [%]	99.5	99.4	99.5
Redundancy	6.9	7	6.5
CC(1/2)		0.995	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	25% PEG3350, 0.1M calcium acetate, 5mM NAD