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Yorodumi- PDB-3t0i: Crystal structure of complex of BT_2972 and AdoHcy, a methyltrans... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3t0i | ||||||
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Title | Crystal structure of complex of BT_2972 and AdoHcy, a methyltransferase from Bacteroides thetaiotaomicron | ||||||
Components | Putative methyltransferase | ||||||
Keywords | TRANSFERASE / Rossmann fold / methyltransferase / S-Adenosyl methionine / S-Adenosyl-L-homocysteine / Methylation | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Bacteroides thetaiotaomicron (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Kumar, V. / Sivaraman, J. | ||||||
Citation | Journal: To be published Title: Crystal structure of complex of BT_2972 and AdoHcy,a methyltransferase from Bacteroides thetaiotaomicron Authors: Kumar, V. / Sivaraman, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3t0i.cif.gz | 115 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3t0i.ent.gz | 87.6 KB | Display | PDB format |
PDBx/mmJSON format | 3t0i.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/t0/3t0i ftp://data.pdbj.org/pub/pdb/validation_reports/t0/3t0i | HTTPS FTP |
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-Related structure data
Related structure data | 3f4kS S: Starting model for refinement |
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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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Unit cell |
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-Components
#1: Protein | Mass: 30317.943 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacteroides thetaiotaomicron (bacteria) Strain: VPI-5482 / Gene: NP_811884.1 / Plasmid: pGS21a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: Q8A3I2 #2: Chemical | #3: Water | ChemComp-HOH / | |
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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: 2.18 Å3/Da / Density % sol: 43.69 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop Details: 25% (v/v) 2-propanol, 0.1M MES monohydrate (pH 6.0), 18% (w/v) PEG MME 2000, VAPOR DIFFUSION, HANGING DROP, temperature 298K PH range: pH 6.0 |
-Data collection
Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 1 Å |
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Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 11, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→50 Å / Num. all: 20346 / Num. obs: 20346 / % possible obs: 94.5 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Rsym value: 0.071 / Net I/σ(I): 15.5 |
Reflection shell | Resolution: 2.4→2.49 Å / Redundancy: 2.9 % / Mean I/σ(I) obs: 2.9 / Rsym value: 0.215 / % possible all: 91 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3F4K Resolution: 2.4→50 Å / Cross valid method: Throught / σ(F): 2 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.4→50 Å
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Refine LS restraints |
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