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Open data
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Basic information
Entry | Database: PDB / ID: 6dyg | |||||||||
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Title | Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y | |||||||||
![]() | Soluble cytochrome b562 | |||||||||
![]() | METAL BINDING PROTEIN / Designed protein / 4-helix bundle / electron transport | |||||||||
Function / homology | ![]() electron transport chain / periplasmic space / electron transfer activity / iron ion binding / heme binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Tezcan, F.A. / Rittle, J. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: An efficient, step-economical strategy for the design of functional metalloproteins. Authors: Rittle, J. / Field, M.J. / Green, M.T. / Tezcan, F.A. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 99.1 KB | Display | ![]() |
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PDB format | ![]() | 75 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 12.3 KB | Display | |
Data in CIF | ![]() | 16.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6dy4C ![]() 6dy6C ![]() 6dy8C ![]() 6dybC ![]() 6dycC ![]() 6dydC ![]() 6dyeC ![]() 6dyfC ![]() 6dyhC ![]() 6dyiC ![]() 6dyjC ![]() 6dykC ![]() 6dylC ![]() 2bc5S C: citing same article ( S: Starting model for refinement |
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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
#1: Protein | Mass: 11922.401 Da / Num. of mol.: 2 / Mutation: K59W, I67H, G70Y, Q71H, T96C, T97H, R98C, Y101C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-FE / | #4: Chemical | ChemComp-MG / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.48 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: Drop consists of 2 uL of 25% PEG 1500, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Iron(II) Sulfate (Anaerobic crystal growth) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 1, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.49→38.495 Å / Num. obs: 35186 / % possible obs: 97.88 % / Redundancy: 6.4 % / CC1/2: 1 / Rmerge(I) obs: 0.041 / Net I/σ(I): 23.87 |
Reflection shell | Resolution: 1.49→1.5274 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 2.35 / Num. unique obs: 2999 / CC1/2: 0.875 / % possible all: 84.45 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2bc5 Resolution: 1.49→38.495 Å / SU ML: 0.17 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 32.34
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.49→38.495 Å
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Refine LS restraints |
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LS refinement shell |
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