2Q2Q

Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-02-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5419
Spacegroup name	C 1 2 1
Unit cell lengths	261.457, 59.913, 116.523
Unit cell angles	90.00, 113.70, 90.00

Refinement procedure

Resolution	30.000 - 2.020
R-factor	0.202
Rwork	0.199
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wmb
RMSD bond length	0.028
RMSD bond angle	2.281
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.090
High resolution limit [Å]	2.020	2.020
Rmerge		0.593
Number of reflections	105219
Completeness [%]	96.7	74.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.1	295	17-20 % PEG 1500, 0.2mM calcium chloride, 10mM acetoacetate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K