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- PDB-2pvx: NMR and X-ray Analysis of Structural Additivity in Metal Binding ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2pvx | ||||||
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Title | NMR and X-ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin | ||||||
![]() | Rubredoxin | ||||||
![]() | ELECTRON TRANSPORT / rubredoxin / chimeric / Pyrococcus furiosus | ||||||
Function / homology | ![]() alkane catabolic process / electron transfer activity / iron ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wang, L. / LeMaster, D.M. / Hernandez, G. / Li, H. | ||||||
![]() | ![]() Title: NMR and X-ray analysis of structural additivity in metal binding site-swapped hybrids of rubredoxin Authors: Lemaster, D.M. / Anderson, J.S. / Wang, L. / Guo, Y. / Li, H. / Hernandez, 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 | ![]() | 279.8 KB | Display | ![]() |
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PDB format | ![]() | 230.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 470.8 KB | Display | ![]() |
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Full document | ![]() | 474.7 KB | Display | |
Data in XML | ![]() | 24.8 KB | Display | |
Data in CIF | ![]() | 39 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2pveC ![]() 1bq8S 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
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Components
#1: Protein | Mass: 6062.743 Da / Num. of mol.: 8 / Mutation: A2K,K7T,I8V,I41L,A44V,P45G,S47D,E48Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-ZN / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.01 Å3/Da / Density % sol: 38.81 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 62% Ammonium Sulphate 0.1 M Sodium Acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 8, 2005 / Details: mirrors |
Radiation | Monochromator: YALE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8577 Å / Relative weight: 1 |
Reflection | Resolution: 1.04→50 Å / Num. all: 187203 / Num. obs: 177843 / % possible obs: 95 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.4 % / Biso Wilson estimate: 7.4 Å2 / Rmerge(I) obs: 0.057 / Rsym value: 0.057 / Net I/σ(I): 37 |
Reflection shell | Resolution: 1.04→1.08 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.584 / Mean I/σ(I) obs: 2.6 / Rsym value: 0.584 / % possible all: 92.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1BQ8 Resolution: 1.04→10 Å / Data cutoff high absF: 928479.91 / Data cutoff low absF: 0 / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 18 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.04→10 Å
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Refine LS restraints |
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