1E3W

Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and 3-keto butyrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	57.603, 67.426, 67.500
Unit cell angles	65.22, 73.27, 75.67

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.157 *
Rwork	0.189
R-free	0.19600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hsd
RMSD bond length	0.013 *
RMSD bond angle	0.028 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.060	0.291
Number of reflections	148442
<I/σ(I)>	19.7	2.1
Completeness [%]	92.0	60.4
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	HANGING DROP PROT: 10MG/ML, 0.4 MM ACETOACETYL COA, 1 MM NADH, 10 MM HEP WELL: 28% PEG 4000, 0.2 M LI SO4, 0.1 M TRIS PH 8.5. 18 C

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	30 (%(w/v))
2	1	reservoir		0.2 (M)
3	1	reservoir	Tris	0.1 (M)
4	1	drop	protein	5 (mg/ml)
5	1	drop	NADH	750 (M)
6	1	drop		50 (mM)
7	1	drop	HEPES	10 (mM)