2DDH

Crystal Structure of Acyl-CoA oxidase complexed with 3-OH-dodecanoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-17
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	85.500, 103.200, 161.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.070
Rwork	0.199
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1is2
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.076
Number of reflections	43441
Completeness [%]	98.7	93.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20% PEG8000, 2.0M NaCl, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K