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Open data
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Basic information
Entry | Database: PDB / ID: 5dlk | ||||||
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Title | The crystal structure of CT mutant | ||||||
![]() | TqaA | ||||||
![]() | UNKNOWN FUNCTION / Biochemistry / mutant | ||||||
Function / homology | ![]() : / amino acid activation for nonribosomal peptide biosynthetic process / secondary metabolite biosynthetic process / ligase activity / phosphopantetheine binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zhang, J.R. / Tang, Y. / Zhou, J.H. | ||||||
![]() | ![]() Title: Structural basis of nonribosomal peptide macrocyclization in fungi Authors: Zhang, J. / Liu, N. / Cacho, R.A. / Gong, Z. / Liu, Z. / Qin, W. / Tang, C. / Tang, Y. / Zhou, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 391.2 KB | Display | ![]() |
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PDB format | ![]() | 317.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 495.4 KB | Display | ![]() |
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Full document | ![]() | 506.7 KB | Display | |
Data in XML | ![]() | 76 KB | Display | |
Data in CIF | ![]() | 111.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5dijSC ![]() 5egfC ![]() 5ejdC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 53670.582 Da / Num. of mol.: 4 / Fragment: UNP residues 3595-4074 / Mutation: residues 3992-4001 deletion mutant Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-EDO / #3: Chemical | ChemComp-DMS / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.31 Å3/Da / Density % sol: 62.79 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / Details: Sodium malnate, Bis-Tris propane, PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 4, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. obs: 256485 / % possible obs: 99.9 % / Redundancy: 5.6 % / Net I/σ(I): 22.4 |
Reflection shell | Resolution: 1.8→1.83 Å / Redundancy: 5.6 % / Rmerge(I) obs: 0.88 / Mean I/σ(I) obs: 2.2 / % possible all: 100 |
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Processing
Software | Name: PHENIX / Version: 1.9_1692 / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: ![]() Starting model: 5DIJ Resolution: 1.8→41.906 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.86 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→41.906 Å
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Refine LS restraints |
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LS refinement shell |
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