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Yorodumi- PDB-7d8i: Crystal structure of nucleoside phosphatase Sa1684 complex with A... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7d8i | ||||||
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Title | Crystal structure of nucleoside phosphatase Sa1684 complex with ATP analogue from staphylococus aureus | ||||||
Components | UPF0374 protein SA1684 | ||||||
Keywords | CYTOSOLIC PROTEIN / nucleotide phosphatase | ||||||
Function / homology | Function and homology information nucleoside diphosphate phosphatase / nucleoside-triphosphate phosphatase / hydrolase activity / metal ion binding Similarity search - Function | ||||||
Biological species | Staphylococcus aureus subsp. aureus N315 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.62 Å | ||||||
Authors | Wang, Z. / Li, X. | ||||||
Funding support | China, 1items
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Citation | |||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7d8i.cif.gz | 51.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7d8i.ent.gz | 38.1 KB | Display | PDB format |
PDBx/mmJSON format | 7d8i.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/d8/7d8i ftp://data.pdbj.org/pub/pdb/validation_reports/d8/7d8i | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 21734.592 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus subsp. aureus N315 (bacteria) Strain: N315 / Gene: SA1684 / Production host: Escherichia coli (E. coli) / References: UniProt: Q7A4T2 | ||||
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#2: Chemical | ChemComp-AGS / | ||||
#3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.08 % |
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Crystal grow | Temperature: 289.15 K / Method: vapor diffusion, hanging drop / pH: 5.5 / Details: 20% PEG400, 0.1M sodium citrate pH 5.5 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 1.2809 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 18, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.2809 Å / Relative weight: 1 |
Reflection | Resolution: 1.62→50 Å / Num. obs: 24142 / % possible obs: 99.7 % / Redundancy: 7.2 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 23.05 |
Reflection shell | Resolution: 1.62→1.65 Å / Num. unique obs: 1219 / CC1/2: 0.96 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.62→42.45 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.616 / SU ML: 0.057 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.092 / ESU R Free: 0.086 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 61.37 Å2 / Biso mean: 21.087 Å2 / Biso min: 9.19 Å2
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Refinement step | Cycle: final / Resolution: 1.62→42.45 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.622→1.664 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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