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- PDB-7rge: Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase fro... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7rge | ||||||
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Title | Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex | ||||||
![]() | 3'-phosphoadenylylsulfate reductase | ||||||
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Function / homology | ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Stogios, P.J. / Evdokimova, E. / Di Leo, R. / Savchenko, A. / Joachimiak, A. / Satchell, K.J.F. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex Authors: Stogios, P.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 114 KB | Display | ![]() |
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PDB format | ![]() | 76.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2oq2S S: Starting model for refinement |
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Similar structure data | |
Other databases |
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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 on special symmetry positions |
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Components
#1: Protein | Mass: 27598.096 Da / Num. of mol.: 1 / Mutation: Q80A+E80A+K82A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() References: UniProt: A0A510P1R8, ![]() | ||||||
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#2: Chemical | ![]() #3: Chemical | ChemComp-PO4 / | ![]() #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.89 Å3/Da / Density % sol: 57.43 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.1 M sodium chloride, 0.1 M HEPES, pH 7.5, 25% w/v PEG3350, 1 mM AMP |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Nov 21, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.38→30 Å / Num. obs: 13451 / % possible obs: 100 % / Redundancy: 6 % / Biso Wilson estimate: 57.32 Å2 / Rmerge(I) obs: 0.059 / Rpim(I) all: 0.027 / Net I/σ(I): 24.78 |
Reflection shell | Resolution: 2.38→2.42 Å / Rmerge(I) obs: 0.863 / Mean I/σ(I) obs: 1.06 / Num. unique obs: 662 / CC1/2: 0.875 / Rpim(I) all: 0.437 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB entry 2OQ2 Resolution: 2.38→28.26 Å / SU ML: 0.1867 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 22.5221 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 70.8 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.38→28.26 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group | Refine-ID: X-RAY DIFFRACTION / Auth asym-ID: A / Label asym-ID: A
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