1WMB

Crystal structure of NAD dependent D-3-hydroxybutylate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	64.336, 99.025, 110.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.216
R-free	0.24700
Structure solution method	Crystal 1 SINGLE WAVELENGTH PROTOCOL, Crystal 2 MAD PROTOCOL
RMSD bond length	0.005
RMSD bond angle	1.188
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	47802
<I/σ(I)>	8.4	2.4
Completeness [%]	99.1	99.2
Redundancy	4.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Na cacodylate, PEG3000, magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Na cacodylate, PEG3000, magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Na cacodylate, PEG3000, magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K