+Open data
-Basic information
Entry | Database: PDB / ID: 3cba | ||||||
---|---|---|---|---|---|---|---|
Title | Crystal structure of Lipopeptide Detergent (LPD-12) (Hexagonal) | ||||||
Components | LPD-12 | ||||||
Keywords | DE NOVO PROTEIN / alpha helix / acyl chains / detergent / amphiphilic / lipopeptide / self-assembling peptide | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | ||||||
Authors | Ho, D.N. / Pomroy, N.C. / Cuesta-Seijo, J.A. / Prive, G.G. | ||||||
Citation | Journal: To be Published Title: Packing and Twinning in Orthorhombic and Hexagonal Crystals of Lipopeptide Detergent (LPD-12) Authors: Ho, D.N. / Pomroy, N.C. / Cuesta-Seijo, J.A. / Prive, G.G. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 3cba.cif.gz | 76.4 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb3cba.ent.gz | 66.4 KB | Display | PDB format |
PDBx/mmJSON format | 3cba.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3cba_validation.pdf.gz | 3.2 MB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 3cba_full_validation.pdf.gz | 3.2 MB | Display | |
Data in XML | 3cba_validation.xml.gz | 21.3 KB | Display | |
Data in CIF | 3cba_validation.cif.gz | 28.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cb/3cba ftp://data.pdbj.org/pub/pdb/validation_reports/cb/3cba | HTTPS FTP |
-Related structure data
Related structure data | |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
2 |
| ||||||||
Unit cell |
|
-Components
#1: Protein/peptide | Mass: 2826.394 Da / Num. of mol.: 12 / Source method: obtained synthetically / Details: de novo designed lipopeptide #2: Sugar | ChemComp-DMU / #3: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.83 Å3/Da / Density % sol: 56.49 % |
---|---|
Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 4.2 Details: 12% PEG 3350, 0.15M potassium phosphate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9793 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 10, 2004 |
Radiation | Monochromator: Rosenbaum-Rock high-resolution double-crystal monochromator. LN2 cooled first crystal, sagittal focusing 2nd crystal Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→50 Å / Num. all: 43769 / Num. obs: 43769 / % possible obs: 99.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 5.9 % / Rsym value: 0.053 |
Reflection shell | Resolution: 1.7→1.76 Å / Redundancy: 4.9 % / Rsym value: 0.26 / % possible all: 98.4 |
-Processing
Software |
| ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.7→10 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
| ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→10 Å
| ||||||||||||||||||||
Refine LS restraints |
|