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Yorodumi- PDB-6yog: Structure of PepTSt from COC IMISX setup collected by still seria... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6yog | ||||||
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Title | Structure of PepTSt from COC IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | ||||||
Components | Di-or tripeptide:H+ symporter | ||||||
Keywords | TRANSPORT PROTEIN / 2D X-ray phase-contrast imaging / IMISX / in situ rotation images / prelocation / still images / serial crystallography / HYDROLASE | ||||||
Function / homology | Function and homology information oligopeptide transport / peptide transmembrane transporter activity / identical protein binding / plasma membrane Similarity search - Function | ||||||
Biological species | Streptococcus thermophilus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Huang, C.-Y. / Martiel, I. / Villanueva-Perez, P. / Panepucci, E. / Caffrey, M. / Wang, M. | ||||||
Citation | Journal: Iucrj / Year: 2020 Title: Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography. Authors: Martiel, I. / Huang, C.Y. / Villanueva-Perez, P. / Panepucci, E. / Basu, S. / Caffrey, M. / Pedrini, B. / Bunk, O. / Stampanoni, M. / Wang, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6yog.cif.gz | 113.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6yog.ent.gz | 88.7 KB | Display | PDB format |
PDBx/mmJSON format | 6yog.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/yo/6yog ftp://data.pdbj.org/pub/pdb/validation_reports/yo/6yog | HTTPS FTP |
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-Related structure data
Related structure data | 6yobC 6yocC 6yodC 6yoeC 6yofC 5d58S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 52782.148 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus thermophilus (strain ATCC BAA-250 / LMG 18311) (bacteria) Gene: dtpT, stu0970 / Production host: Escherichia coli (E. coli) / References: UniProt: Q5M4H8 |
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-Non-polymers , 5 types, 100 molecules
#2: Chemical | ChemComp-PO4 / | ||||||
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#3: Chemical | ChemComp-78M / ( #4: Chemical | ChemComp-PG0 / | #5: Chemical | ChemComp-PGE / | #6: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.99 Å3/Da / Density % sol: 58.84 % |
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Crystal grow | Temperature: 293 K / Method: lipidic cubic phase / pH: 7 Details: 250-325 mM NH4H2PO4, 100 mM HEPES, pH 7.0, 21-22 %(v/v) PEG 400 and 10 mM Ala-Phe |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: Y |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 28, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→55.64 Å / Num. obs: 28437 / % possible obs: 100 % / Redundancy: 51.9 % / CC1/2: 0.92 / Rrim(I) all: 0.17 / Net I/σ(I): 3.73 |
Reflection shell | Resolution: 2.3→2.38 Å / Redundancy: 32.6 % / Num. unique obs: 2806 / CC1/2: 0.33 / Rrim(I) all: 2.15 / % possible all: 99.95 |
Serial crystallography sample delivery | Method: fixed target |
Serial crystallography sample delivery fixed target | Description: IMISX / Sample dehydration prevention: COC sandwich / Sample holding: IMISX / Support base: 3D-printed holder in standard goniometer base |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5D58 Resolution: 2.3→55.64 Å / SU ML: 0.3 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 28.03
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 122.69 Å2 / Biso mean: 58.2949 Å2 / Biso min: 27.05 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.3→55.64 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / % reflection obs: 100 %
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