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Yorodumi- PDB-1q77: X-ray crystal structure of putative Universal Stress Protein from... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1q77 | ||||||
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Title | X-ray crystal structure of putative Universal Stress Protein from Aquifex aeolicus | ||||||
Components | Hypothetical protein AQ_178Hypothesis | ||||||
Keywords | Structural genomics / unknown function / universal stress protein / PSI / Protein Structure Initiative / Midwest Center for Structural Genomics / MCSG | ||||||
Function / homology | HUPs / Rossmann-like alpha/beta/alpha sandwich fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / Universal stress protein Aq_178 Function and homology information | ||||||
Biological species | Aquifex aeolicus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.7 Å | ||||||
Authors | Osipiuk, J. / Zhou, M. / Moy, S. / Collart, F. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG) | ||||||
Citation | Journal: To be Published Title: Structural homolog of Universal Stress Protein from Aquifex aeolicus Authors: Osipiuk, J. / Zhou, M. / Moy, S. / Collart, F. / Joachimiak, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1q77.cif.gz | 61.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1q77.ent.gz | 50.3 KB | Display | PDB format |
PDBx/mmJSON format | 1q77.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q7/1q77 ftp://data.pdbj.org/pub/pdb/validation_reports/q7/1q77 | HTTPS FTP |
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-Related structure data
Related structure data | |
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Similar structure data | |
Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 15611.881 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aquifex aeolicus (bacteria) / Gene: aq_178 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / References: UniProt: O66565 #2: Chemical | ChemComp-SO4 / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 4.8 Å3/Da / Density % sol: 74.35 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 9 Details: ammonium sulfate, Tris buffer, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97962 Å |
Detector | Type: SBC-2 / Detector: CCD / Date: Jul 20, 2003 |
Radiation | Monochromator: double crystal / Protocol: SAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97962 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→50 Å / Num. all: 17527 / Num. obs: 17349 / % possible obs: 99.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 14.7 % / Biso Wilson estimate: 56.6 Å2 / Rmerge(I) obs: 0.104 / Net I/σ(I): 6.1 |
Reflection shell | Resolution: 2.7→2.8 Å / % possible all: 95.1 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.7→47.38 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 243854.86 / Data cutoff high rms absF: 243854.86 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 42.5929 Å2 / ksol: 0.345768 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 64.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.7→47.38 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.7→2.87 Å / Rfactor Rfree error: 0.029 / Total num. of bins used: 6
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Xplor file |
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