4N5L

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	87.912, 94.341, 137.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.180 - 1.650
R-factor	0.2477
Rwork	0.245
R-free	0.29160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q7b
RMSD bond length	0.019
RMSD bond angle	1.872
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.640	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.059
Number of reflections	59854
<I/σ(I)>	30
Completeness [%]	87.2	92.2	81.9
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	ethanol,citrate, lithium sulfate, pH 6.5, vapor diffusion, hanging drop, temperature 295K