+Open data
-Basic information
Entry | Database: PDB / ID: 6mw1 | ||||||
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Title | cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A. | ||||||
Components | Pseudoxylallemycin A | ||||||
Keywords | ANTIBIOTIC / tetrapeptide / cyclic peptide / N-methyl leucine / pseudoxylallemycin A | ||||||
Function / homology | Pseudoxylallemycin A Function and homology information | ||||||
Biological species | Xylaria (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / AB INITIO PHASING / Resolution: 0.77 Å | ||||||
Authors | Cameron, A.J. / Harris, P.W.R. / Brimble, M.A. / Squire, C.J. | ||||||
Citation | Journal: Org.Biomol.Chem. / Year: 2019 Title: Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Authors: Cameron, A.J. / Squire, C.J. / Gerenton, A. / Stubbing, L.A. / Harris, P.W.R. / Brimble, M.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6mw1.cif.gz | 8.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6mw1.ent.gz | 5.3 KB | Display | PDB format |
PDBx/mmJSON format | 6mw1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6mw1_validation.pdf.gz | 383.1 KB | Display | wwPDB validaton report |
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Full document | 6mw1_full_validation.pdf.gz | 383.1 KB | Display | |
Data in XML | 6mw1_validation.xml.gz | 2.2 KB | Display | |
Data in CIF | 6mw1_validation.cif.gz | 2.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mw/6mw1 ftp://data.pdbj.org/pub/pdb/validation_reports/mw/6mw1 | HTTPS FTP |
-Related structure data
Related structure data | 6mvzC 6mw0C 6mw2C C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein/peptide | |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.43 Å3/Da / Density % sol: 13.76 % |
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Crystal grow | Temperature: 293 K / Method: evaporation / Details: methanol, water |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.71075 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 13, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.71075 Å / Relative weight: 1 |
Reflection | Resolution: 0.77→26.42 Å / Num. obs: 4124 / % possible obs: 98.3 % / Redundancy: 11.9 % / CC1/2: 0.993 / Rmerge(I) obs: 0.078 / Rpim(I) all: 0.024 / Net I/σ(I): 27 |
Reflection shell | Resolution: 0.77→0.79 Å / Redundancy: 11.8 % / Rmerge(I) obs: 0.141 / Mean I/σ(I) obs: 19.6 / Num. unique obs: 279 / CC1/2: 0.992 / Rpim(I) all: 0.043 / % possible all: 91.7 |
-Processing
Software |
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Refinement | Method to determine structure: AB INITIO PHASING / Resolution: 0.77→26.42 Å / Cross valid method: NONE Details: Full least squares refinement in SHELXL with anisotropic atoms and riding hydrogens.
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Refinement step | Cycle: LAST / Resolution: 0.77→26.42 Å /
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