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Yorodumi- EMDB-54408: Focused refinement of closed encapsulin pentamer from symmetry ex... -
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Open data
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Basic information
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| Title | Focused refinement of closed encapsulin pentamer from symmetry expansion of icosahedral single particle reconstruction of the Rhodospirillum rubrum encapsulin:encapsulated ferritin complex | |||||||||
Map data | Experimental map | |||||||||
Sample |
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Keywords | Encapsulin / nanocompartment / encapsulated ferritin / STRUCTURAL PROTEIN | |||||||||
| Function / homology | Function and homology informationencapsulin nanocompartment / ferroxidase / ferroxidase activity / iron ion transport / metal ion binding Similarity search - Function | |||||||||
| Biological species | Rhodospirillum rubrum (bacteria) | |||||||||
| Method | single particle reconstruction / cryo EM / Resolution: 2.63 Å | |||||||||
Authors | McIver Z / McCorvie TJ / Basle A / Marles-Wright J | |||||||||
| Funding support | United Kingdom, 1 items
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Citation | Journal: Acta Crystallogr D Struct Biol / Year: 2019 Title: Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix. Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty ...Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty / Robert D Oeffner / Billy K Poon / Michael G Prisant / Randy J Read / Jane S Richardson / David C Richardson / Massimo D Sammito / Oleg V Sobolev / Duncan H Stockwell / Thomas C Terwilliger / Alexandre G Urzhumtsev / Lizbeth L Videau / Christopher J Williams / Paul D Adams / ![]() Abstract: Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological ...Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological processes and to develop new therapeutics against diseases. The overall structure-solution workflow is similar for these techniques, but nuances exist because the properties of the reduced experimental data are different. Software tools for structure determination should therefore be tailored for each method. Phenix is a comprehensive software package for macromolecular structure determination that handles data from any of these techniques. Tasks performed with Phenix include data-quality assessment, map improvement, model building, the validation/rebuilding/refinement cycle and deposition. Each tool caters to the type of experimental data. The design of Phenix emphasizes the automation of procedures, where possible, to minimize repetitive and time-consuming manual tasks, while default parameters are chosen to encourage best practice. A graphical user interface provides access to many command-line features of Phenix and streamlines the transition between programs, project tracking and re-running of previous tasks. | |||||||||
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Structure visualization
| Supplemental images |
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Downloads & links
-EMDB archive
| Map data | emd_54408.map.gz | 360.1 MB | EMDB map data format | |
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| Header (meta data) | emd-54408-v30.xml emd-54408.xml | 28.6 KB 28.6 KB | Display Display | EMDB header |
| FSC (resolution estimation) | emd_54408_fsc.xml | 19 KB | Display | FSC data file |
| Images | emd_54408.png | 102.1 KB | ||
| Masks | emd_54408_msk_1.map | 729 MB | Mask map | |
| Filedesc metadata | emd-54408.cif.gz | 7.3 KB | ||
| Others | emd_54408_additional_1.map.gz emd_54408_half_map_1.map.gz emd_54408_half_map_2.map.gz | 684.6 MB 676.2 MB 676.2 MB | ||
| Archive directory | http://ftp.pdbj.org/pub/emdb/structures/EMD-54408 ftp://ftp.pdbj.org/pub/emdb/structures/EMD-54408 | HTTPS FTP |
-Related structure data
| Related structure data | ![]() 9rzuMC ![]() 9rzmC ![]() 9s05C ![]() 9s13C C: citing same article ( M: atomic model generated by this map |
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| Similar structure data | Similarity search - Function & homology F&H Search |
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Links
| EMDB pages | EMDB (EBI/PDBe) / EMDataResource |
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| Related items in Molecule of the Month |
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Map
| File | Download / File: emd_54408.map.gz / Format: CCP4 / Size: 729 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) | ||||||||||||||||||||||||||||||||||||
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| Annotation | Experimental map | ||||||||||||||||||||||||||||||||||||
| Projections & slices | Image control
Images are generated by Spider. | ||||||||||||||||||||||||||||||||||||
| Voxel size | X=Y=Z: 0.751 Å | ||||||||||||||||||||||||||||||||||||
| Density |
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| Symmetry | Space group: 1 | ||||||||||||||||||||||||||||||||||||
| Details | EMDB XML:
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-Supplemental data
-Mask #1
| File | emd_54408_msk_1.map | ||||||||||||
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| Density Histograms |
-Additional map: B-factor sharpened map
| File | emd_54408_additional_1.map | ||||||||||||
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| Annotation | B-factor sharpened map | ||||||||||||
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| Density Histograms |
-Half map: Half map A
| File | emd_54408_half_map_1.map | ||||||||||||
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| Annotation | Half map A | ||||||||||||
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| Density Histograms |
-Half map: Half map B
| File | emd_54408_half_map_2.map | ||||||||||||
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| Annotation | Half map B | ||||||||||||
| Projections & Slices |
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| Density Histograms |
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Sample components
-Entire : Complex of Rhodospirillum rubrum encapsulin and encapsulated ferritin
| Entire | Name: Complex of Rhodospirillum rubrum encapsulin and encapsulated ferritin |
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| Components |
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-Supramolecule #1: Complex of Rhodospirillum rubrum encapsulin and encapsulated ferritin
| Supramolecule | Name: Complex of Rhodospirillum rubrum encapsulin and encapsulated ferritin type: complex / ID: 1 / Parent: 0 / Macromolecule list: all |
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| Source (natural) | Organism: Rhodospirillum rubrum (bacteria) |
| Molecular weight | Theoretical: 150 KDa |
-Supramolecule #2: Rhodospirillum rubrum encapsulin
| Supramolecule | Name: Rhodospirillum rubrum encapsulin / type: complex / ID: 2 / Parent: 1 |
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| Source (natural) | Organism: Rhodospirillum rubrum (bacteria) |
-Supramolecule #3: Rhodospirillum rubrum encapsulated ferritin
| Supramolecule | Name: Rhodospirillum rubrum encapsulated ferritin / type: complex / ID: 3 / Parent: 1 |
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| Source (natural) | Organism: Rhodospirillum rubrum (bacteria) |
-Macromolecule #1: Type 1 encapsulin shell protein
| Macromolecule | Name: Type 1 encapsulin shell protein / type: protein_or_peptide / ID: 1 / Number of copies: 5 / Enantiomer: LEVO |
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| Source (natural) | Organism: Rhodospirillum rubrum (bacteria) |
| Molecular weight | Theoretical: 29.765936 KDa |
| Recombinant expression | Organism: ![]() |
| Sequence | String: MNDLMRDLAP ISAKAWAEIE TEARGTLTVT LAARKVVDFK GPLGWDASSV SLGRTEALAE EPKAAGSAAV VTVRKRAVQP LIELCVPFT LKRAELEAIA RGASDADLDP VIEAARAIAI AEDRAVFHGF AAGGITGIGE ASAEHALDLP ADLADFPGVL V RALAVLRD ...String: MNDLMRDLAP ISAKAWAEIE TEARGTLTVT LAARKVVDFK GPLGWDASSV SLGRTEALAE EPKAAGSAAV VTVRKRAVQP LIELCVPFT LKRAELEAIA RGASDADLDP VIEAARAIAI AEDRAVFHGF AAGGITGIGE ASAEHALDLP ADLADFPGVL V RALAVLRD RGVDGPYALV LGRTVYQQLM ETTTPGGYPV LQHVRRLFEG PLIWAPGVDG AMLISQRGGD FELTVGRDFS IG YHDHDAQ SVHLYLQESM TFRCLGPEAA VPLRGLSQAA TKA UniProtKB: Type 1 encapsulin shell protein |
-Macromolecule #2: Encapsulated ferritin-like protein
| Macromolecule | Name: Encapsulated ferritin-like protein / type: protein_or_peptide / ID: 2 / Number of copies: 5 / Enantiomer: LEVO / EC number: ferroxidase |
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| Source (natural) | Organism: Rhodospirillum rubrum (bacteria) |
| Molecular weight | Theoretical: 15.21172 KDa |
| Recombinant expression | Organism: ![]() |
| Sequence | String: MAQSSNSTHE PLEVLKEETV NRHRAIVSVM EELEAVDWYD QRVDASTDPE LTAILAHNRD EEKEHAAMTL EWLRRNDAKW AEHLRTYLF TEGPITAIEA ADTAGEGSGG DAAKGATAQG DGSLGIGSLK GEAALARPPR L UniProtKB: Encapsulated ferritin-like protein |
-Experimental details
-Structure determination
| Method | cryo EM |
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Processing | single particle reconstruction |
| Aggregation state | particle |
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Sample preparation
| Concentration | 3 mg/mL | |||||||||
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| Buffer | pH: 8 Component:
Details: 150 mM NaCl, 50 mM Tris-HCl, pH 8.0 | |||||||||
| Grid | Model: Quantifoil / Material: COPPER / Mesh: 200 / Support film - Material: CARBON / Support film - topology: HOLEY / Pretreatment - Type: GLOW DISCHARGE / Pretreatment - Time: 60 sec. / Pretreatment - Atmosphere: AIR | |||||||||
| Vitrification | Cryogen name: ETHANE / Chamber humidity: 100 % / Chamber temperature: 281 K / Instrument: FEI VITROBOT MARK IV Details: 4 uL of sample was applied to the grids, which were then blotted 100% humidity blot force 5 wait time 10 s blot time 3 seconds. | |||||||||
| Details | Complex of Rhodospirillum rubrum encapsulin and encapsulated ferritin |
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Electron microscopy
| Microscope | TFS GLACIOS |
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| Temperature | Min: 80.0 K |
| Image recording | Film or detector model: FEI FALCON IV (4k x 4k) / Number grids imaged: 2 / Number real images: 7994 / Average electron dose: 50.0 e/Å2 |
| Electron beam | Acceleration voltage: 200 kV / Electron source: FIELD EMISSION GUN |
| Electron optics | Illumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Cs: 2.7 mm / Nominal defocus max: 1.6 µm / Nominal defocus min: 0.6 µm |
| Sample stage | Specimen holder model: FEI TITAN KRIOS AUTOGRID HOLDER / Cooling holder cryogen: NITROGEN |
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Image processing
-Atomic model buiding 1
| Initial model | Chain - Source name: Other / Chain - Initial model type: in silico model / Details: model produced in ModelAngelo |
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| Refinement | Space: REAL / Protocol: OTHER / Overall B value: 99.4 / Target criteria: Cross-correlation coefficient |
| Output model | ![]() PDB-9rzu: |
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About Yorodumi



Keywords
Rhodospirillum rubrum (bacteria)
Authors
United Kingdom, 1 items
Citation










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FIELD EMISSION GUN
