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1N5T

Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with the ligand Oxidized Acetyl Dithranol

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 5.2R
Synchrotron siteELETTRA
Beamline5.2R
Temperature [K]100
Detector technologyCCD
Collection date2001-05-20
DetectorMARRESEARCH
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths47.216, 59.974, 71.629
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
Rwork0.202
R-free0.25600
Structure solution methodfourier difference
Starting model (for MR)1lq9
RMSD bond length0.015

*

RMSD bond angle2.500

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.930
High resolution limit [Å]1.9001.900
Rmerge0.0520.235
Total number of observations64564

*

Number of reflections16795
<I/σ(I)>19.42.9
Completeness [%]99.699.4
Redundancy3.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7293ammonium sulfate, PEG 200, Tris or Hepes buffer , pH 7.0, vapour diffusion + soaking , temperature 293K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirammonium sulfate1.5 (M)
21reservoirHEPES100 (mM)pH7.0
31reservoirTris-HCl100 (mM)pH8.0
41reservoirPEG20010-15 (%)

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