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Yorodumi- PDB-1qsu: CRYSTAL STRUCTURE OF THE TRIPLE-HELICAL COLLAGEN-LIKE PEPTIDE, (P... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1qsu | ||||||
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Title | CRYSTAL STRUCTURE OF THE TRIPLE-HELICAL COLLAGEN-LIKE PEPTIDE, (PRO-HYP-GLY)4-GLU-LYS-GLY(PRO-HYP-GLY)5 | ||||||
Components | PROTEIN ((PRO-HYP-GLY)4- GLU-LYS-GLY(PRO-HYP-GLY)5) | ||||||
Keywords | STRUCTURAL PROTEIN / TRIPLE HELIX | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.75 Å | ||||||
Authors | Kramer, R.Z. / Venugopal, M. / Bella, J. / Brodsky, B. / Berman, H.M. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2000 Title: Staggered molecular packing in crystals of a collagen-like peptide with a single charged pair. Authors: Kramer, R.Z. / Venugopal, M.G. / Bella, J. / Mayville, P. / Brodsky, B. / Berman, H.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qsu.cif.gz | 25.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qsu.ent.gz | 21.3 KB | Display | PDB format |
PDBx/mmJSON format | 1qsu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1qsu_validation.pdf.gz | 439.6 KB | Display | wwPDB validaton report |
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Full document | 1qsu_full_validation.pdf.gz | 441.1 KB | Display | |
Data in XML | 1qsu_validation.xml.gz | 7.5 KB | Display | |
Data in CIF | 1qsu_validation.cif.gz | 9.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qs/1qsu ftp://data.pdbj.org/pub/pdb/validation_reports/qs/1qsu | 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/peptide | Mass: 2738.892 Da / Num. of mol.: 3 / Source method: obtained synthetically / Details: Collagen-like model sequence. #2: 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: 2.16 Å3/Da / Density % sol: 42.97 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: PEG 4K, tris HCl, Li2SO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 277 K |
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Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS / Wavelength: 1.5418 |
Detector | Type: ENRAF-NONIUS CAD4 / Detector: DIFFRACTOMETER / Date: Oct 15, 1993 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Highest resolution: 1.75 Å / Num. all: 7286 / % possible obs: 99.97 % / Observed criterion σ(F): 0 |
Reflection shell | Resolution: 1.75→1.81 Å / Num. unique all: 718 / % possible all: 99.86 |
Reflection | *PLUS Num. obs: 5745 |
Reflection shell | *PLUS % possible obs: 99.9 % |
-Processing
Software |
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Refinement | Resolution: 1.75→20 Å / Rfactor Rfree error: 0.017 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 7.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.75→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.75→1.86 Å / Rfactor Rfree error: 0.04 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / Rfactor obs: 0.18 / Rfactor Rwork: 0.18 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.296 / Rfactor Rwork: 0.286 |