5YS9

Crystal structure of acyl-coA oxidase3 from Yarrowia lipolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-28
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	I 4
Unit cell lengths	160.824, 160.824, 139.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.990 - 2.500
R-factor	0.1829
Rwork	0.181
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 5Y9D
RMSD bond length	0.014
RMSD bond angle	1.677
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.070	0.039	0.281
Rmeas	0.076	0.042	0.318
Rpim	0.030	0.016	0.145
Number of reflections	60127	3101	2922
<I/σ(I)>	20.5
Completeness [%]	98.8	99.3	98
Redundancy	5.5	6.7	4.3
CC(1/2)		0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Pentaerythritol propoxylate, KCl, HEPES