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Open data
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Basic information
Entry | Database: PDB / ID: 1smm | ||||||
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Title | Crystal Structure of Cp Rd L41A mutant in oxidized state | ||||||
![]() | Rubredoxin | ||||||
![]() | ELECTRON TRANSPORT | ||||||
Function / homology | ![]() alkane catabolic process / electron transfer activity / iron ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Park, I.Y. / Youn, B. / Harley, J.L. / Eidsness, M.K. / Smith, E. / Ichiye, T. / Kang, C. | ||||||
![]() | ![]() Title: The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer Authors: Park, I.Y. / Youn, B. / Harley, J.L. / Eidsness, M.K. / Smith, E. / Ichiye, T. / Kang, 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 | ![]() | 31.3 KB | Display | ![]() |
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PDB format | ![]() | 21.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1smuC ![]() 1smwC ![]() 1fhhS 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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1 |
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Unit cell |
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Components
#1: Protein | Mass: 6009.531 Da / Num. of mol.: 1 / Mutation: L41A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-SO4 / |
#3: Chemical | ChemComp-FE / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 40.54 % | ||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 4 Details: ammonium sulfate, sodium chloride, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 4 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 113 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jul 31, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 |
Reflection | Resolution: 1.36→20 Å / Num. all: 10231 / Num. obs: 10231 / % possible obs: 99 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 1.4 |
Reflection shell | Resolution: 1.36→1.45 Å / % possible all: 96.6 |
Reflection | *PLUS Rmerge(I) obs: 0.029 |
Reflection shell | *PLUS Rmerge(I) obs: 0.139 / Mean I/σ(I) obs: 1.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1FHH Resolution: 1.36→20 Å / Cross valid method: THROUGHOUT / σ(F): 0.001 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.36→20 Å
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Refinement | *PLUS Rfactor Rwork: 0.18 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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