4KUE

Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase from Clostridium butyricum

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	2010-09-10
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97985
Spacegroup name	H 3
Unit cell lengths	144.111, 144.111, 204.999
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.870 - 2.000
R-factor	0.189
Rwork	0.187
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f0y
RMSD bond length	0.017
RMSD bond angle	1.848
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.057	0.027	0.196
Number of reflections	86911
<I/σ(I)>	18.2
Completeness [%]	81.0	98.4	60.2
Redundancy	3.3	5.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	295	(NH4)2SO4, CAPs, Li2SO4, pH 10.5, vapor diffusion, hanging drop, temperature 295K