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- PDB-6nsm: TetR family transcriptional regulator CifR C99T-C107S-C181R Cyste... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6nsm | |||||||||||||||
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Title | TetR family transcriptional regulator CifR C99T-C107S-C181R Cysteines mutant complexed with 26bp double-strand operator DNA | |||||||||||||||
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![]() | TRANSCRIPTION/DNA / repressor / DNA-binding complex / epoxide sensing protein / TRANSCRIPTION-DNA complex | |||||||||||||||
Function / homology | ![]() regulation of biosynthetic process / regulation of primary metabolic process / DNA-binding transcription repressor activity / protein-DNA complex / transcription cis-regulatory region binding / negative regulation of DNA-templated transcription / DNA binding Similarity search - Function | |||||||||||||||
Biological species | ![]() ![]() ![]() | |||||||||||||||
Method | ![]() ![]() ![]() | |||||||||||||||
![]() | He, S. / Simard, A.R. / Madden, D.R. | |||||||||||||||
Funding support | ![]()
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![]() | ![]() Title: Molecular basis for the transcriptional regulation of an epoxide-based virulence circuit in Pseudomonas aeruginosa Authors: He, S. / Taher, N.M. / Simard, A.R. / Hvorecny, K.L. / Ragusa, M.J. / Bahl, C.D. / Hickman, A.B. / Dyda, F. / Madden, D.R. | |||||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 248.7 KB | Display | ![]() |
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PDB format | ![]() | 176.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 430.9 KB | Display | ![]() |
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Full document | ![]() | 431 KB | Display | |
Data in XML | ![]() | 15.3 KB | Display | |
Data in CIF | ![]() | 20.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6nsnSC ![]() 6nsrC S: Starting model for refinement C: citing same article ( |
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Similar structure data | |
Experimental dataset #1 | Data reference: ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 21973.900 Da / Num. of mol.: 2 / Mutation: C99T,C107S,C181R Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: UCBPP-PA14 / Gene: PA14_26140 / Plasmid: pET-16b / Production host: ![]() ![]() #2: DNA chain | | Mass: 7941.160 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() ![]() #3: DNA chain | | Mass: 8026.255 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() ![]() #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.78 Å3/Da / Density % sol: 67.47 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.9 Details: 0.1 M Tris, pH 7.9, 0.2 M magnesium chloride, 18% PEG4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 5, 2017 |
Radiation | Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979303 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→27.98 Å / Num. obs: 22709 / % possible obs: 99.68 % / Redundancy: 13.5 % / Biso Wilson estimate: 70.58 Å2 / CC1/2: 0.999 / CC star: 1 / Rmerge(I) obs: 0.1588 / Rpim(I) all: 0.04456 / Rrim(I) all: 0.163 / Net I/σ(I): 15.16 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 14.1 % / Rmerge(I) obs: 1.623 / Mean I/σ(I) obs: 1.55 / Num. unique obs: 2226 / CC1/2: 0.654 / CC star: 0.889 / Rpim(I) all: 0.4435 / Rrim(I) all: 1.683 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 6NSN Resolution: 2.8→27.98 Å / SU ML: 0.3638 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 27.5013 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 79.96 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.8→27.98 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group | Refine-ID: X-RAY DIFFRACTION
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