1JQI

Crystal Structure of Rat Short Chain Acyl-CoA Dehydrogenase Complexed With Acetoacetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1993-10-28
Detector	RIGAKU RAXIS II
Wavelength(s)	1.54
Spacegroup name	P 3 2 1
Unit cell lengths	143.610, 143.610, 77.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.890 - 2.250
R-factor	0.16 *
Rwork	0.168
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		30.000
High resolution limit [Å]	2.250 *	2.100
Rmerge	0.066 *
Total number of observations	113237 *
Number of reflections	36527 *
Completeness [%]		76.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	85 mM Tris-acetate, pH 7.0, 270 mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.8 (mg/ml)
2	1	drop	Tris-acetate	85 (mM)	pH7.0
3	1	drop	ammonium sulfate	270 (mM)
4	1	reservoir	Tris-acetate	85 (mM)	pH7.0
5	1	reservoir	ammonium sulfate	3.78 (M)