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Open data
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Basic information
Entry | Database: PDB / ID: 1be7 | ||||||
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Title | CLOSTRIDIUM PASTEURIANUM RUBREDOXIN C42S MUTANT | ||||||
![]() | RUBREDOXIN | ||||||
![]() | ELECTRON TRANSPORT / METALLOPROTEIN / IRON SULFUR / ELECTRON TRANSFER | ||||||
Function / homology | ![]() alkane catabolic process / electron transfer activity / iron ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Maher, M. / Guss, J.M. / Wilce, M. / Wedd, A.G. | ||||||
![]() | Journal: J.Am.Chem.Soc. / Year: 1998 Title: The Rubredoxin from Clostridium Pasteurianum: Mutation of the Iron Cysteinyl Ligands to Serine. Crystal and Molecular Structures of the Oxidised and Dithionite-Treated Forms of the Cys42Ser Mutant Authors: Xiao, Z. / Lavery, M.J. / Ayhan, M. / Scrofani, S.D.B. / Wilce, M.C.J. / Guss, J.M. / Tregloan, P.A. / George, G.N. / Wedd, A.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 22.8 KB | Display | ![]() |
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PDB format | ![]() | 14 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 414.8 KB | Display | ![]() |
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Full document | ![]() | 414.7 KB | Display | |
Data in XML | ![]() | 4.6 KB | Display | |
Data in CIF | ![]() | 5.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5rxnS 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: 6035.545 Da / Num. of mol.: 1 / Mutation: C42S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FE / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.17 Å3/Da / Density % sol: 43 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 4 Details: PROTEIN WAS CRYSTALLISED FROM 50-60% SATURATED AMMONIUM SULFATE IN SODIUM ACETATE BUFFER (50 MM) AT PH 4., pH 4.0 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Jul 1, 1995 / Details: MIRRORS |
Radiation | Monochromator: NI FILTER 0.00015" / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→30 Å / Num. obs: 6061 / % possible obs: 99.6 % / Redundancy: 6.7 % / Biso Wilson estimate: 19.03 Å2 / Rmerge(I) obs: 0.068 / Rsym value: 0.068 / Net I/σ(I): 15 |
Reflection shell | Resolution: 1.65→1.71 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.141 / Mean I/σ(I) obs: 4.9 / % possible all: 96.9 |
Reflection | *PLUS Num. measured all: 40888 |
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Processing
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Refinement | Method to determine structure: OTHER OTHER Starting model: 5RXN Resolution: 1.65→50 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 24.08 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.65→50 Å
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Refine LS restraints |
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Refinement | *PLUS % reflection Rfree: 5 % / Rfactor obs: 0.185 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |