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Open data
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Basic information
Entry | Database: PDB / ID: 8d9o | ||||||
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Title | De Novo Photosynthetic Reaction Center Protein in Apo-State | ||||||
![]() | Reaction Center Maquette | ||||||
![]() | DE NOVO PROTEIN / maquette / protein design / charge separation / artificial photosynthesis | ||||||
Function / homology | : ![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() | ||||||
![]() | Ennist, N.M. / Stayrook, S.E. / Dutton, P.L. / Moser, C.C. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Rational design of photosynthetic reaction center protein maquettes. Authors: Ennist, N.M. / Stayrook, S.E. / Dutton, P.L. / Moser, C.C. #1: ![]() Title: De Novo Protein Design of Photochemical Reaction Centers Authors: Ennist, N.M. / Zhao, Z. / Stayrook, S.E. / Discher, B.M. / Dutton, P.L. / Moser, C.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 57.7 KB | Display | ![]() |
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PDB format | ![]() | 39 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 5.7 MB | Display | ![]() |
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Full document | ![]() | 5.7 MB | Display | |
Data in XML | ![]() | 9.8 KB | Display | |
Data in CIF | ![]() | 13.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8d9pC ![]() 5vjsS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 22530.430 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: ![]() ![]() | ||||
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#2: Chemical | ChemComp-CD / #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.7 Å3/Da / Density % sol: 27.76 % / Description: Parallelepiped |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 4.8 Details: 24% w/v PEG1500, 100 mM CdCl2, 100 mM Na acetate, pH 4.8. Cryoprotectant: 2-methyl-2.4-pentanediol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU SATURN 944+ / Detector: CCD / Date: Dec 6, 2013 / Details: Osmic VariMax mirror |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Resolution: 1.78→18.46 Å / Num. obs: 14128 / % possible obs: 95.1 % / Redundancy: 3.4 % / Biso Wilson estimate: 17.72 Å2 / Rmerge(I) obs: 0.047 / Net I/σ(I): 17.12 |
Reflection shell | Resolution: 1.783→1.829 Å / Rmerge(I) obs: 0.175 / Mean I/σ(I) obs: 3.79 / Num. unique obs: 737 / CC1/2: 0.95 / % possible all: 68.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5VJS Resolution: 1.78→18.46 Å / SU ML: 0.167 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 20.2235 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: 25.34 Å2 | ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.78→18.46 Å
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Refine LS restraints |
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LS refinement shell |
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