5B4T

Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	62.780, 62.780, 119.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.670 - 1.190
R-factor	0.158
Rwork	0.157
R-free	0.17270
RMSD bond length	0.010
RMSD bond angle	1.402
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	33.630
High resolution limit [Å]	1.190
Number of reflections	57643
<I/σ(I)>	11.2
Completeness [%]	74.0
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	30% PEG 4000, 100mM Tris hydrochloride pH 8.0, 200mM D-3-hydroxybutyrate, 5mM NAD+, VAPOR DIFFUSION, HANGING DROP, temperature 293K