+Open data
-Basic information
Entry | Database: PDB / ID: 1wuw | ||||||
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Title | Crystal Structure of beta hordothionin | ||||||
Components | Beta-hordothionin | ||||||
Keywords | PLANT PROTEIN / crambin fold / dimer | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Hordeum vulgare (barley) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Johnson, K.A. / Kim, E. / Teeter, M.M. / Suh, S.W. / Stec, B. | ||||||
Citation | Journal: Febs Lett. / Year: 2005 Title: Crystal structure of alpha-hordothionin at 1.9 Angstrom resolution. Authors: Johnson, K.A. / Kim, E. / Teeter, M.M. / Suh, S.W. / Stec, B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1wuw.cif.gz | 31.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1wuw.ent.gz | 21.6 KB | Display | PDB format |
PDBx/mmJSON format | 1wuw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1wuw_validation.pdf.gz | 450.7 KB | Display | wwPDB validaton report |
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Full document | 1wuw_full_validation.pdf.gz | 451.6 KB | Display | |
Data in XML | 1wuw_validation.xml.gz | 7.6 KB | Display | |
Data in CIF | 1wuw_validation.cif.gz | 9.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wu/1wuw ftp://data.pdbj.org/pub/pdb/validation_reports/wu/1wuw | HTTPS FTP |
-Related structure data
Related structure data | 1bhpS S: Starting model for refinement |
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Similar structure data |
-Links
-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/peptide | Mass: 4936.943 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Hordeum vulgare (barley) / References: UniProt: P21742 #2: Chemical | #3: Chemical | #4: 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: 2.83 Å3/Da / Density % sol: 56.58 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: PEG 2000, citrate, ammonium sulfate, toluene sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 |
Detector | Type: ENRAF-NONIUS FAST / Detector: AREA DETECTOR / Date: Jun 21, 1994 / Details: monochromator |
Radiation | Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→30 Å / Num. all: 8963 / Num. obs: 8963 / % possible obs: 99 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 15.1 % / Rmerge(I) obs: 0.078 |
Reflection shell | Resolution: 1.9→1.95 Å / Redundancy: 12.2 % / Rmerge(I) obs: 0.23 / Mean I/σ(I) obs: 8.1 / Num. unique all: 364 / % possible all: 54 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1bhp Resolution: 1.9→30 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.9→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.95 Å
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