4OU8

Crystal structure of apocarotenoid oxygenase in the presence of C8E6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.73080
Spacegroup name	P 21 21 21
Unit cell lengths	118.561, 125.122, 203.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.580 - 2.800
R-factor	0.21219
Rwork	0.211
R-free	0.23554
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2biw
RMSD bond length	0.011
RMSD bond angle	1.413
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Number of reflections	75053
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	281	PEG 3350, BTP, NH4Cl, C8E6 , VAPOR DIFFUSION, HANGING DROP, temperature 281K