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Yorodumi- PDB-7m76: Room Temperature XFEL Crystallography reveals asymmetry in the vi... -
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Open data
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Basic information
| Entry | Database: PDB / ID: 7m76 | ||||||||||||||||||||||||
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| Title | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | ||||||||||||||||||||||||
Components | (Photosystem I ...) x 12 | ||||||||||||||||||||||||
Keywords | PHOTOSYNTHESIS / Membrane complex / Electron transport | ||||||||||||||||||||||||
| Function / homology | Function and homology informationphotosystem I reaction center / photosystem I / photosynthetic electron transport in photosystem I / photosystem I / chlorophyll binding / plasma membrane-derived thylakoid membrane / photosynthesis / 4 iron, 4 sulfur cluster binding / electron transfer activity / oxidoreductase activity ...photosystem I reaction center / photosystem I / photosynthetic electron transport in photosystem I / photosystem I / chlorophyll binding / plasma membrane-derived thylakoid membrane / photosynthesis / 4 iron, 4 sulfur cluster binding / electron transfer activity / oxidoreductase activity / magnesium ion binding / metal ion binding / membrane Similarity search - Function | ||||||||||||||||||||||||
| Biological species | ![]() Thermosynechococcus elongatus (bacteria) | ||||||||||||||||||||||||
| Method | X-RAY DIFFRACTION / FREE ELECTRON LASER / MOLECULAR REPLACEMENT / Resolution: 3 Å | ||||||||||||||||||||||||
Authors | Keable, S.M. / Simon, P.S. / Kolsch, A. / Kern, J. / Yachandra, V.K. / Zouni, A. / Yano, J. | ||||||||||||||||||||||||
| Funding support | United States, Germany, 7items
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Citation | Journal: Sci Rep / Year: 2021Title: Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I. Authors: Keable, S.M. / Kolsch, A. / Simon, P.S. / Dasgupta, M. / Chatterjee, R. / Subramanian, S.K. / Hussein, R. / Ibrahim, M. / Kim, I.S. / Bogacz, I. / Makita, H. / Pham, C.C. / Fuller, F.D. / ...Authors: Keable, S.M. / Kolsch, A. / Simon, P.S. / Dasgupta, M. / Chatterjee, R. / Subramanian, S.K. / Hussein, R. / Ibrahim, M. / Kim, I.S. / Bogacz, I. / Makita, H. / Pham, C.C. / Fuller, F.D. / Gul, S. / Paley, D. / Lassalle, L. / Sutherlin, K.D. / Bhowmick, A. / Moriarty, N.W. / Young, I.D. / Blaschke, J.P. / de Lichtenberg, C. / Chernev, P. / Cheah, M.H. / Park, S. / Park, G. / Kim, J. / Lee, S.J. / Park, J. / Tono, K. / Owada, S. / Hunter, M.S. / Batyuk, A. / Oggenfuss, R. / Sander, M. / Zerdane, S. / Ozerov, D. / Nass, K. / Lemke, H. / Mankowsky, R. / Brewster, A.S. / Messinger, J. / Sauter, N.K. / Yachandra, V.K. / Yano, J. / Zouni, A. / Kern, J. | ||||||||||||||||||||||||
| History |
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Structure visualization
| Structure viewer | Molecule: Molmil Jmol/JSmol |
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Downloads & links
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Download
| PDBx/mmCIF format | 7m76.cif.gz | 1.3 MB | Display | PDBx/mmCIF format |
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| PDB format | pdb7m76.ent.gz | 1 MB | Display | PDB format |
| PDBx/mmJSON format | 7m76.json.gz | Tree view | PDBx/mmJSON format | |
| Others | Other downloads |
-Validation report
| Summary document | 7m76_validation.pdf.gz | 31 MB | Display | wwPDB validaton report |
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| Full document | 7m76_full_validation.pdf.gz | 31.4 MB | Display | |
| Data in XML | 7m76_validation.xml.gz | 139.6 KB | Display | |
| Data in CIF | 7m76_validation.cif.gz | 170.6 KB | Display | |
| Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/m7/7m76 ftp://data.pdbj.org/pub/pdb/validation_reports/m7/7m76 | HTTPS FTP |
-Related structure data
| Related structure data | ![]() 7m75C ![]() 7m78C ![]() 1jb0S S: Starting model for refinement C: citing same article ( |
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| Similar structure data |
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Links
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Assembly
| Deposited unit | ![]()
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| 2 | ![]()
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| Unit cell |
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Components
-Photosystem I ... , 12 types, 12 molecules ABCDEFIJKLMX
| #1: Protein | Mass: 83267.773 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A405, photosystem I |
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| #2: Protein | Mass: 82992.453 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A407, photosystem I |
| #3: Protein | Mass: 8678.011 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A415, photosystem I |
| #4: Protein | Mass: 15258.297 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A420 |
| #5: Protein | Mass: 8268.290 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A423 |
| #6: Protein | Mass: 17716.586 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A401 |
| #7: Protein/peptide | Mass: 4297.234 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A427 |
| #8: Protein/peptide | Mass: 4770.698 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A429 |
| #9: Protein | Mass: 8483.983 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A425 |
| #10: Protein | Mass: 16156.569 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: Q8DGB4 |
| #11: Protein/peptide | Mass: 3426.115 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: P0A403 |
| #12: Protein/peptide | Mass: 3973.744 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() Thermosynechococcus elongatus (strain BP-1) (bacteria)Strain: BP-1 / References: UniProt: Q8DKP6 |
-Sugars , 2 types, 2 molecules 


| #21: Sugar | ChemComp-LMT / |
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| #22: Sugar | ChemComp-DGD / |
-Non-polymers , 9 types, 153 molecules 
















| #13: Chemical | ChemComp-CL0 / | ||||||||||||||
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| #14: Chemical | ChemComp-CLA / #15: Chemical | #16: Chemical | ChemComp-BCR / #17: Chemical | ChemComp-LMG / #18: Chemical | ChemComp-LHG / #19: Chemical | #20: Chemical | #23: Water | ChemComp-HOH / | |
-Details
| Has ligand of interest | Y |
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| Has protein modification | Y |
-Experimental details
-Experiment
| Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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Sample preparation
| Crystal | Density Matthews: 7.36 Å3/Da / Density % sol: 83.3 % |
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| Crystal grow | Temperature: 298 K / Method: batch mode Details: 5 mM MES, pH 6.0, 12 mM sodium sulfate, 0.2% beta-dodecyl maltoside |
-Data collection
| Diffraction | Mean temperature: 298 K / Serial crystal experiment: N |
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| Diffraction source | Source: FREE ELECTRON LASER / Site: PAL-XFEL / Beamline: NCI / Wavelength: 1.277 Å |
| Detector | Type: RAYONIX MX225-HS / Detector: CCD / Date: Jun 24, 2019 |
| Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
| Radiation wavelength | Wavelength: 1.277 Å / Relative weight: 1 |
| Reflection | Resolution: 3→25.23 Å / Num. obs: 147785 / % possible obs: 100 % / Redundancy: 32 % / Biso Wilson estimate: 74.47 Å2 / CC1/2: 0.904 / Net I/σ(I): 1.3 |
| Reflection shell | Resolution: 3→3.05 Å / Num. unique obs: 7378 / CC1/2: 0.31 |
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Processing
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| Refinement | Method to determine structure: MOLECULAR REPLACEMENTStarting model: PDB entry 1JB0 Resolution: 3→25.23 Å / SU ML: 0.6008 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 35.0033 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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| Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso mean: 67.26 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refinement step | Cycle: LAST / Resolution: 3→25.23 Å
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| Refine LS restraints |
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| LS refinement shell |
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About Yorodumi




Thermosynechococcus elongatus (bacteria)
X-RAY DIFFRACTION
United States,
Germany, 7items
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