2Q2V

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	115.328, 58.176, 119.382
Unit cell angles	90.00, 92.30, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.171
Rwork	0.169
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q2q
RMSD bond length	0.016
RMSD bond angle	1.662
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	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.048	0.154
Number of reflections	62236
<I/σ(I)>	20.5
Completeness [%]	99.5	98.3
Redundancy	11.3	11

Crystallization Conditions

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