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3PVR

The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with benzoyl-CoA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]77.2
Detector technologyCCD
Collection date2009-11-25
DetectorRAYONIX MX-300
Spacegroup nameP 41 21 2
Unit cell lengths77.631, 77.631, 300.688
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution37.586 - 2.100
R-factor0.1897
Rwork0.188
R-free0.22480
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1otk
RMSD bond length0.010
RMSD bond angle1.118
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]37.58650.0002.130
High resolution limit [Å]2.1004.4402.060
Rmerge0.0780.0380.433
Number of reflections54874
<I/σ(I)>8.6
Completeness [%]99.599.596.6
Redundancy5.86.74.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5293100 mM PIPES, 5% PEG550 MME, 5% isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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