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- PDB-7qpw: X-ray structure of the adduct obtained upon reaction of [cis-Rh2(... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7qpw | ||||||
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Title | X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (1) | ||||||
![]() | Ribonuclease pancreatic | ||||||
![]() | HYDROLASE / Protein metalation / dirhodium tetraacetate derivative / dimetallic paddlewheel complexes | ||||||
Function / homology | ![]() pancreatic ribonuclease / ribonuclease A activity / RNA nuclease activity / nucleic acid binding / lyase activity / defense response to Gram-positive bacterium / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Loreto, D. / Merlino, A. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins. Authors: Loreto, D. / Esposito, A. / Demitri, N. / Guaragna, A. / Merlino, 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 | ![]() | 135.6 KB | Display | ![]() |
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PDB format | ![]() | Display | ![]() | |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 18.6 KB | Display | |
Data in CIF | ![]() | 28.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7qpyC ![]() 7qpzC ![]() 7qq0C ![]() 7qq1C ![]() 1jvtS S: Starting model for refinement C: citing same article ( |
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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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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 13708.326 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() #2: Chemical | ChemComp-F5T / | #3: Chemical | ChemComp-F3I / ( | #4: Chemical | ChemComp-F5I / | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.64 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.1 / Details: 22 % PEG 4K 0.01 M sodium citrate pH 5.1 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 22, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.15→73.06 Å / Num. obs: 84723 / % possible obs: 99.6 % / Redundancy: 6.1 % / CC1/2: 0.997 / Rmerge(I) obs: 0.078 / Rpim(I) all: 0.051 / Net I/σ(I): 10.3 |
Reflection shell | Resolution: 1.15→1.17 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.699 / Mean I/σ(I) obs: 2.2 / Num. unique obs: 4212 / CC1/2: 0.738 / Rpim(I) all: 0.479 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1JVT Resolution: 1.15→73.06 Å / Cor.coef. Fo:Fc: 0.979 / Cor.coef. Fo:Fc free: 0.972 / SU B: 1.228 / SU ML: 0.025 / Cross valid method: FREE R-VALUE / ESU R: 0.034 / ESU R Free: 0.035 Details: Hydrogens have been added in their riding positions
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.985 Å2
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Refinement step | Cycle: LAST / Resolution: 1.15→73.06 Å
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Refine LS restraints |
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LS refinement shell |
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