3PVT

The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with 3-hydroxybutanoyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	77.2
Detector technology	CCD
Collection date	2009-11-17
Detector	RAYONIX MX-300
Spacegroup name	P 41 21 2
Unit cell lengths	77.366, 77.366, 301.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.133 - 2.030
R-factor	0.1972
Rwork	0.195
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1otk
RMSD bond length	0.010
RMSD bond angle	1.148
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.133	50.000	2.100
High resolution limit [Å]	2.030	4.370	2.030
Rmerge	0.063	0.044	0.382
Number of reflections	59960
<I/σ(I)>	11.8
Completeness [%]	99.3	99.5	94.8
Redundancy	10	12.4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM PIPES, 5% PEG550 MME, 5% isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K