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Open data
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Basic information
| Entry | Database: PDB / ID: 14uo | |||||||||
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| Title | Crystal Structure of FtsZ with F3308-1098 | |||||||||
Components | Cell division protein FtsZ | |||||||||
Keywords | CELL CYCLE / tuberculosis / FtsZ / cell division | |||||||||
| Function / homology | Function and homology informationdivision septum assembly / FtsZ-dependent cytokinesis / cell division site / protein polymerization / GTPase activity / GTP binding / cytoplasm Similarity search - Function | |||||||||
| Biological species | Mycobacterium tuberculosis CDC1551 (bacteria) | |||||||||
| Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.948 Å | |||||||||
Authors | Meeks, K.R. / Kreitler, D.F. / Lazo, E.O. | |||||||||
| Funding support | United States, 2items
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Citation | Journal: To be publishedTitle: Crystal Structure of FtsZ with F3308-1098 Authors: Meeks, K.R. / Kreitler, D.F. / Lazo, E.O. | |||||||||
| History |
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Structure visualization
| Structure viewer | Molecule: Molmil Jmol/JSmol |
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Downloads & links
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Download
| PDBx/mmCIF format | 14uo.cif.gz | 138 KB | Display | PDBx/mmCIF format |
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| PDB format | pdb14uo.ent.gz | Display | PDB format | |
| PDBx/mmJSON format | 14uo.json.gz | Tree view | PDBx/mmJSON format | |
| Others | Other downloads |
-Validation report
| Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/4u/14uo ftp://data.pdbj.org/pub/pdb/validation_reports/4u/14uo | HTTPS FTP |
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-Group deposition
| ID | G_1002379 (150 entries) |
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| Title | PanDDA analysis group deposition of Mycobacterium tuberculosis FtsZ fragment screen |
| Type | undefined |
| Description | M. tuberculosis FtsZ fragment screen against Enamine DSI-poised and Life Chemicals fragment diversity set #3 libraries. Ligands in DMSO were acoustically transferred to crystal drops. Refined ensemble models for hit ligands placed into PanDDA event maps. Changed and ground states within ensembles are designated with altloc labels for each atom. Atoms with no altlocs are assumed to be in the same position in each state. Event maps are primary binding evidence and are appended as additional blocks in structure factor CIF files. All sets of structure factors used for PanDDA analysis are included in this deposition. Structure factors for unmodeled and solvent test datasets not refined to convergence have been concatenated into a multi-block structure factor file with a corresponding representative structure. Chemical information for each added ligand is included for modeled and unmodeled ligand datasets in the _diffrn.crystal_treatment key value pair. |
-Related structure data
| Similar structure data | Similarity search - Function & homology F&H Search |
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Links
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Assembly
| Deposited unit | ![]()
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| 1 |
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| Unit cell |
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Components
| #1: Protein | Mass: 38790.730 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis CDC1551 (bacteria)Gene: ftsZ, MT2209 / Plasmid: pET28 / Production host: ![]() #2: Chemical | ChemComp-PO4 / | #3: Chemical | ChemComp-A1DNY / | Mass: 225.287 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C9H7NO2S2 / Feature type: SUBJECT OF INVESTIGATION #4: Water | ChemComp-HOH / | Has ligand of interest | Y | Has protein modification | 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: 2.62 Å3/Da / Density % sol: 53.06 % |
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| Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 5 Details: 0.1 M ammonium sulfate, 15.6% (w/v) PEG 3350, 0.1 M Bis-Tris pH 5.0. |
-Data collection
| Diffraction | Mean temperature: 100 K |
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| Diffraction source | Source: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.919764 Å |
| Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Apr 6, 2025 / Details: KB |
| Radiation | Monochromator: DCM Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
| Radiation wavelength | Wavelength: 0.919764 Å / Relative weight: 1 |
| Reflection | Resolution: 1.948→44.364 Å / Num. obs: 58059 / % possible obs: 100 % / Redundancy: 13.3 % / CC1/2: 0.998 / Rmerge(I) obs: 0.215 / Rpim(I) all: 0.061 / Rrim(I) all: 0.223 / Net I/σ(I): 8 / Num. measured all: 773645 |
| Reflection shell | Resolution: 1.948→1.982 Å / % possible obs: 100 % / Redundancy: 13.4 % / Rmerge(I) obs: 2.346 / Num. measured all: 39436 / Num. unique obs: 2940 / CC1/2: 0.339 / Rpim(I) all: 0.664 / Rrim(I) all: 2.439 |
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Processing
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| Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.948→44.404 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.949 / WRfactor Rfree: 0.204 / WRfactor Rwork: 0.174 / SU B: 4.075 / SU ML: 0.108 / Average fsc free: 0.9627 / Average fsc work: 0.9707 / Cross valid method: THROUGHOUT / ESU R: 0.133 / ESU R Free: 0.124 Details: Hydrogens have been added in their riding positions
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| Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso mean: 33.6 Å2
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| Refinement step | Cycle: LAST / Resolution: 1.948→44.404 Å
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| Refine LS restraints |
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| LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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About Yorodumi




Mycobacterium tuberculosis CDC1551 (bacteria)
X-RAY DIFFRACTION
United States, 2items
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