+Open data
-Basic information
Entry | Database: PDB / ID: 4tm3 | ||||||
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Title | Kutzneria sp. 744 ornithine N-hydroxylase, KtzI-FADox-Br | ||||||
Components | KtzI | ||||||
Keywords | OXIDOREDUCTASE / hydroxylase / flavin / ornithine / monooxygenase | ||||||
Function / homology | Function and homology information L-lysine N6-monooxygenase (NADPH) / L-lysine 6-monooxygenase (NADPH) activity / cellular biosynthetic process / organonitrogen compound biosynthetic process / nucleotide binding Similarity search - Function | ||||||
Biological species | Kutzneria sp. 744 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.09 Å | ||||||
Authors | Setser, J.W. / Drennan, C.L. | ||||||
Citation | Journal: Biochemistry / Year: 2014 Title: Crystallographic Evidence of Drastic Conformational Changes in the Active Site of a Flavin-Dependent N-Hydroxylase. Authors: Setser, J.W. / Heemstra, J.R. / Walsh, C.T. / Drennan, C.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4tm3.cif.gz | 344.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4tm3.ent.gz | 274.7 KB | Display | PDB format |
PDBx/mmJSON format | 4tm3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tm/4tm3 ftp://data.pdbj.org/pub/pdb/validation_reports/tm/4tm3 | HTTPS FTP |
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-Related structure data
Related structure data | 4tlxC 4tlzC 4tm0C 4tm1C 4tm4C 3s5wS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 49425.938 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Kutzneria sp. 744 (bacteria) / Gene: ktzI, KUTG_08917 / Production host: Escherichia coli (E. coli) / References: UniProt: A8CF85 #2: Chemical | ChemComp-FAD / #3: Chemical | ChemComp-BR / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.48 Å3/Da / Density % sol: 50.45 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop Details: 0.9-1.2 M sodium bromide, 22-25% PEG 3350, 0.1 M Bis-tris propane pH 7.5 Temp details: room temperature |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å |
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Apr 13, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2.09→50 Å / Num. obs: 117046 / % possible obs: 99.5 % / Redundancy: 5.2 % / Rsym value: 0.089 / Net I/σ(I): 16.5 |
Reflection shell | Resolution: 2.09→2.13 Å / Redundancy: 5.3 % / Mean I/σ(I) obs: 2.6 / Rsym value: 0.537 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3S5W Resolution: 2.09→45.506 Å / SU ML: 0.26 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.95 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.09→45.506 Å
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Refine LS restraints |
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LS refinement shell |
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