4R1N

Crystal structure of (S)-3-hydroxybutylryl-CoA dehydrogenase form the n-butanol sysnthesizing bacterium, Clostridium butyricum.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-03
Detector	ADSC QUANTUM 210
Wavelength(s)	1.23985
Spacegroup name	H 3
Unit cell lengths	146.475, 146.475, 202.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.900 - 1.800
R-factor	0.2085
Rwork	0.207
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f0y
RMSD bond length	0.019
RMSD bond angle	1.905
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.900	30.900
High resolution limit [Å]	1.800	1.800
Number of reflections	138509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	295	2M (NH4)2SO4,CAPs,Li2SO4, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K