3VDQ

Crystal structure of alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate

Replaces:  2ZEA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-17
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	91.400, 91.400, 262.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.200
Rwork	0.190
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yz7
Data reduction software	CrystalClear
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.010	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.133	0.317
Number of reflections	57443
<I/σ(I)>	12.3	6.6
Completeness [%]	100.0	100
Redundancy	12.47	12.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	30% PEG 4000, 0.2M SODIUM ACETATE TRIHYDRATE, 1.0M TRIS-HCL BUFFER, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K