+Open data
-Basic information
Entry | Database: PDB / ID: 6kji | ||||||
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Title | Crystal structure of PsoF with SAH | ||||||
Components | Dual-functional monooxygenase/methyltransferase psoF | ||||||
Keywords | OXIDOREDUCTASE / metyltransferase | ||||||
Function / homology | Function and homology information fumagillin biosynthetic process / N,N-dimethylaniline monooxygenase activity / Oxidoreductases / monooxygenase activity / Transferases; Transferring one-carbon groups; Methyltransferases / methyltransferase activity / NADP binding / flavin adenine dinucleotide binding / methylation Similarity search - Function | ||||||
Biological species | Neosartorya fumigata (mold) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.99 Å | ||||||
Authors | Hara, K. / Hashimoto, H. / Matsushita, T. / Tsunematsu, Y. / Watanabe, K. | ||||||
Citation | Journal: Biochemistry / Year: 2019 Title: Functional and Structural Analyses oftrans C-Methyltransferase in Fungal Polyketide Biosynthesis. Authors: Kishimoto, S. / Tsunematsu, Y. / Matsushita, T. / Hara, K. / Hashimoto, H. / Tang, Y. / Watanabe, K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6kji.cif.gz | 236.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6kji.ent.gz | 186 KB | Display | PDB format |
PDBx/mmJSON format | 6kji.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6kji_validation.pdf.gz | 1.2 MB | Display | wwPDB validaton report |
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Full document | 6kji_full_validation.pdf.gz | 1.3 MB | Display | |
Data in XML | 6kji_validation.xml.gz | 47.1 KB | Display | |
Data in CIF | 6kji_validation.cif.gz | 68.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kj/6kji ftp://data.pdbj.org/pub/pdb/validation_reports/kj/6kji | HTTPS FTP |
-Related structure data
Related structure data | 6kjgSC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 41732.039 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100) (mold) Strain: ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100 / Gene: psoF, AFUA_8G00440 / Production host: Escherichia coli (E. coli) References: UniProt: Q4WAZ0, Oxidoreductases, Transferases; Transferring one-carbon groups; Methyltransferases #2: Chemical | #3: Chemical | ChemComp-SO4 / #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.56 Å3/Da / Density % sol: 52.03 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: PEG 3350, sodium fluoride, bis-tris propane pH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-17A / Wavelength: 0.98 Å |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Feb 17, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.99→20 Å / Num. obs: 82243 / % possible obs: 99.3 % / Redundancy: 3.3 % / Rmerge(I) obs: 0.031 / Net I/σ(I): 24.9 |
Reflection shell | Resolution: 1.99→2.1 Å / Rmerge(I) obs: 0.13 / Num. unique obs: 12967 / % possible all: 98.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6KJG Resolution: 1.99→19.7 Å / Cross valid method: FREE R-VALUE
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Refinement step | Cycle: LAST / Resolution: 1.99→19.7 Å
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