3PVY

The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with coenzyme A

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	77.471, 77.471, 301.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.442 - 2.150
R-factor	0.19165
Rwork	0.190
R-free	0.22415
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1otk
RMSD bond length	0.009
RMSD bond angle	1.037
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.442	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.055	0.025	0.220
Number of reflections	55223
<I/σ(I)>	10.8
Completeness [%]	88.7	90.7	92.6
Redundancy	5.9	5.6	6

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