1UDY

Medium-Chain Acyl-CoA Dehydrogenase with 3-Thiaoctanoyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	293
Detector technology	CCD
Collection date	2002-12-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	99.000, 110.600, 147.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
Rwork	0.198
R-free	0.25900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.347 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.057 *	0.209 *
Total number of observations	201618 *
Number of reflections	53947	4381 *
Completeness [%]	84.1	69.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277 *	PEG4000, Tris-acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-8 (mg/ml)
2	1	drop	Tris-acetate	10 (mM)	pH7.0
3	1	reservoir	PEG4000	10-14 (%(w/v))
4	1	reservoir	Tris-acetate	10 (mM)	pH6.0