1XX4

Crystal Structure of Rat Mitochondrial 3,2-Enoyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-11-03
Detector	RIGAKU RAXIS IV
Spacegroup name	I 41 3 2
Unit cell lengths	169.918, 169.918, 169.918
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.150 - 2.200
R-factor	0.245
Rwork	0.239
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HOMOLOGY MODEL OF CROTONASE FOLD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.150	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.089	0.411
Number of reflections	21510
<I/σ(I)>	11.2	3.3
Completeness [%]	99.9	100
Redundancy	19.76	18.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	PEG-MME 550, MES, zinc sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	PEG-MME 550, MES, zinc sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	PEG-MME 550, MES, zinc sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K