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Open data
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Basic information
Entry | Database: PDB / ID: 3njw | ||||||
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Title | First High Resolution Crystal Structure of a Lasso Peptide | ||||||
![]() | Bicyclic peptide BI-32169 | ||||||
![]() | ANTIMICROBIAL PROTEIN / lasso peptide / lariat / protoknot / BI-32169 / glucagon receptor antagonist / microbial peptide | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Nar, H. / Schmid, A. / Puder, C. / Potterat, O. | ||||||
![]() | ![]() Title: High-resolution crystal structure of a lasso Peptide. Authors: Nar, H. / Schmid, A. / Puder, C. / Potterat, O. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 14.4 KB | Display | ![]() |
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PDB format | ![]() | 10.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 383.3 KB | Display | ![]() |
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Full document | ![]() | 383.3 KB | Display | |
Data in XML | ![]() | 3.1 KB | Display | |
Data in CIF | ![]() | 3.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein/peptide | Mass: 2057.310 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.5 Å3/Da / Density % sol: 17.82 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: BI-32169 peptide in 50% DMSO/water mixture equilibrated against 20-50% MPD, 0.1-0.5M sodium phosphate or ammonium sulphate, 0.1M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Oct 25, 2006 / Details: multilayer optics |
Radiation | Monochromator: multilayer optics / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 0.86→8.94 Å / Num. all: 19700 / Num. obs: 19602 / % possible obs: 98.7 % / Redundancy: 7.1 % / Rmerge(I) obs: 0.076 / Net I/σ(I): 16 |
Reflection shell | Resolution: 0.86→0.9 Å / Rmerge(I) obs: 0.41 / Mean I/σ(I) obs: 2.1 / % possible all: 87.2 |
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Processing
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Refinement | Method to determine structure: AB INITIO / Resolution: 0.86→8.94 Å / Num. parameters: 1443 / Num. restraintsaints: 0 / Cross valid method: THROUGHOUT / σ(F): 4
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Refine analyze | Num. disordered residues: 0 / Occupancy sum hydrogen: 124 / Occupancy sum non hydrogen: 161 | ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.86→8.94 Å
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LS refinement shell | Highest resolution: 0.86 Å / Num. reflection obs: 16628 |