+Open data
-Basic information
Entry | Database: PDB / ID: 1nxw | ||||||
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Title | MicArec pH 5.1 | ||||||
Components | DNA-binding response regulator | ||||||
Keywords | SIGNALING PROTEIN / doubly wound 5 alpha - 5 beta structure | ||||||
Function / homology | Function and homology information phosphorelay signal transduction system / regulation of DNA-templated transcription / DNA binding / metal ion binding Similarity search - Function | ||||||
Biological species | Streptococcus pneumoniae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.92 Å | ||||||
Authors | Bent, C.J. / Isaacs, N.W. / Mitchell, T.J. / Riboldi-Tunnicliffe, A. | ||||||
Citation | Journal: J.Bacteriol. / Year: 2004 Title: Crystal structure of the response regulator 02 receiver domain, the essential YycF two-component system of Streptococcus pneumoniae in both complexed and native states. Authors: Bent, C.J. / Isaacs, N.W. / Mitchell, T.J. / Riboldi-Tunnicliffe, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1nxw.cif.gz | 37.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1nxw.ent.gz | 25.9 KB | Display | PDB format |
PDBx/mmJSON format | 1nxw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1nxw_validation.pdf.gz | 437.6 KB | Display | wwPDB validaton report |
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Full document | 1nxw_full_validation.pdf.gz | 438.9 KB | Display | |
Data in XML | 1nxw_validation.xml.gz | 7.8 KB | Display | |
Data in CIF | 1nxw_validation.cif.gz | 9.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nx/1nxw ftp://data.pdbj.org/pub/pdb/validation_reports/nx/1nxw | HTTPS FTP |
-Related structure data
Related structure data | 1nxoC 1nxpC 1nxtSC 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 on special symmetry positions |
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Details | The second part of the biological assembly is generated by the two fold axis: x, -y, -z |
-Components
#1: Protein | Mass: 13600.730 Da / Num. of mol.: 1 / Fragment: MicA Receiver Domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus pneumoniae (bacteria) / Strain: TIGR4 / Plasmid: pET33b / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: Q9S1K0 |
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#2: Chemical | ChemComp-ACY / |
#3: 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: 2.4 Å3/Da / Density % sol: 48.4 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.1 Details: PEG 300, Sodium acetate, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / pH: 7.5 / Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 1.024 Å |
Detector | Type: MACSCIENCE / Detector: CCD / Date: Dec 5, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.024 Å / Relative weight: 1 |
Reflection | Resolution: 1.92→28.87 Å / Num. obs: 10522 / % possible obs: 99.04 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Biso Wilson estimate: 28.02 Å2 |
Reflection shell | Resolution: 1.919→1.969 Å / % possible all: 98.6 |
Reflection | *PLUS Num. measured all: 345059 / Rmerge(I) obs: 0.045 |
Reflection shell | *PLUS % possible obs: 99 % / Rmerge(I) obs: 0.211 / Mean I/σ(I) obs: 3.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1NXT Resolution: 1.92→28.87 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.94 / SU B: 3.686 / SU ML: 0.105 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 2 / ESU R: 0.155 / ESU R Free: 0.144 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.022 Å2
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Refinement step | Cycle: LAST / Resolution: 1.92→28.87 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.919→1.969 Å / Total num. of bins used: 20 /
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Refinement TLS params. | Method: refined / Origin x: 63.549 Å / Origin y: 10.873 Å / Origin z: 5.444 Å
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Refinement TLS group |
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Refinement | *PLUS Rfactor Rfree: 0.2238 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor Rfree: 0.194 / Rfactor Rwork: 0.228 |