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Yorodumi- PDB-1js2: Crystal structure of C77S HiPIP: a serine ligated [4Fe-4S] cluster -
+Open data
-Basic information
Entry | Database: PDB / ID: 1js2 | ||||||
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Title | Crystal structure of C77S HiPIP: a serine ligated [4Fe-4S] cluster | ||||||
Components | high-potential iron protein | ||||||
Keywords | ELECTRON TRANSPORT / serine ligated [4Fe-4S] cluster | ||||||
Function / homology | Function and homology information aerobic electron transport chain / 4 iron, 4 sulfur cluster binding / periplasmic space / electron transfer activity / metal ion binding Similarity search - Function | ||||||
Biological species | Allochromatium vinosum (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Mansy, S.S. / Xiong, Y. / Hemann, C. / Hille, R. / Sundaralingam, M. / Cowan, J.A. | ||||||
Citation | Journal: Biochemistry / Year: 2002 Title: Crystal structure and stability studies of C77S HiPIP: a serine ligated [4Fe-4S] cluster. Authors: Mansy, S.S. / Xiong, Y. / Hemann, C. / Hille, R. / Sundaralingam, M. / Cowan, J.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1js2.cif.gz | 82.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1js2.ent.gz | 61.9 KB | Display | PDB format |
PDBx/mmJSON format | 1js2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1js2_validation.pdf.gz | 407.4 KB | Display | wwPDB validaton report |
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Full document | 1js2_full_validation.pdf.gz | 411.8 KB | Display | |
Data in XML | 1js2_validation.xml.gz | 8 KB | Display | |
Data in CIF | 1js2_validation.cif.gz | 13.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/js/1js2 ftp://data.pdbj.org/pub/pdb/validation_reports/js/1js2 | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 9435.540 Da / Num. of mol.: 4 / Fragment: residues 38-122 of P00260 / Mutation: C77S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Allochromatium vinosum (bacteria) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) pLysS / References: UniProt: P00260 #2: Chemical | ChemComp-SF4 / #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 grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: VAPOR DIFFUSION, HANGING DROP at pH 8.0, 293K | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 14-BM-D / Wavelength: 1.653 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.653 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→27.302 Å / Num. obs: 35617 / % possible obs: 90.4 % / Observed criterion σ(I): 1 / Rmerge(I) obs: 0.094 |
Reflection shell | Resolution: 1.9→1.94 Å / Rmerge(I) obs: 0.307 / Mean I/σ(I) obs: 2 / % possible all: 78.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.9→15 Å / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 1.9→15 Å
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Refine LS restraints |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 15 Å / σ(F): 2 / % reflection Rfree: 5 % / Rfactor obs: 0.193 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS Type: c_bond_d / Dev ideal: 0.01 |