4PZC

Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-20
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00
Spacegroup name	P 32 2 1
Unit cell lengths	135.427, 135.427, 97.166
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.21402
Rwork	0.211
R-free	0.27131
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.576
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	30900
Completeness [%]	96.8	95.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	2M (NH4)2SO4, 0.1M Cacodylate pH 6.5, 0.2M Sodium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K