+Open data
-Basic information
Entry | Database: PDB / ID: 6ovv | ||||||
---|---|---|---|---|---|---|---|
Title | Coiled-coil Trimer with Glu:4-pyridinylalanine:Lys Triad | ||||||
Components | Coiled-coil Trimer with Glu:4-pyridinylalanine:Lys Triad | ||||||
Keywords | DE NOVO PROTEIN / Trimer / Helix | ||||||
Biological species | synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.201 Å | ||||||
Authors | Smith, M.S. / Stern, K.L. / Billings, W.M. / Price, J.L. | ||||||
Funding support | United States, 1items
| ||||||
Citation | Journal: Biochemistry / Year: 2020 Title: Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle. Authors: Stern, K.L. / Smith, M.S. / Billings, W.M. / Loftus, T.J. / Conover, B.M. / Della Corte, D. / Price, J.L. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 6ovv.cif.gz | 23 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb6ovv.ent.gz | 16.8 KB | Display | PDB format |
PDBx/mmJSON format | 6ovv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6ovv_validation.pdf.gz | 415.6 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 6ovv_full_validation.pdf.gz | 415.6 KB | Display | |
Data in XML | 6ovv_validation.xml.gz | 5.6 KB | Display | |
Data in CIF | 6ovv_validation.cif.gz | 6.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ov/6ovv ftp://data.pdbj.org/pub/pdb/validation_reports/ov/6ovv | HTTPS FTP |
-Related structure data
Related structure data | 6os8C 6osdC 6ov9C 6ovsC 6ovuC 6q1wC 6q22C 6q25C 6u47C 6v4yC 6v50C 6v57C 6v58C 6v5gC 6v5iC 6v5jC C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
2 |
| ||||||||
Unit cell |
|
-Components
#1: Protein/peptide | Mass: 3901.462 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #2: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.26 Å3/Da / Density % sol: 45.58 % |
---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop Details: 40% PEG300, 100 mM sodium phosphate dibasic/citric acid, pH 4.2 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS FR591 / Wavelength: 1.5406 Å |
Detector | Type: APEX II CCD / Detector: CCD / Date: Oct 4, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5406 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→17.29 Å / Num. obs: 3330 / % possible obs: 100 % / Redundancy: 4.9 % / CC1/2: 0.993 / Rpim(I) all: 0.083 / Net I/σ(I): 7.5 |
Reflection shell | Resolution: 2.201→2.28 Å / Num. unique obs: 342 / CC1/2: 0.742 / Rpim(I) all: 0.342 |
-Processing
Software |
| |||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.201→17.29 Å / SU ML: 0.26 / Cross valid method: THROUGHOUT / σ(F): 1.99 / Phase error: 28.27
| |||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 54.82 Å2 / Biso mean: 25.1787 Å2 / Biso min: 11.39 Å2 | |||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.201→17.29 Å
| |||||||||||||||||||||||||||||||||||
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 4
|