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Open data
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Basic information
Entry | Database: PDB / ID: 6ai4 | ||||||
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Title | Structure of Transferase mutant-C21S,C199S | ||||||
![]() | Non-LEE encoded effector protein NleB | ||||||
![]() | TRANSFERASE | ||||||
Function / homology | transferase activity / Non-LEE encoded effector protein NleB![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Park, J.B. / Yoo, Y. / Kim, J. | ||||||
![]() | ![]() Title: Transferase mutant-C21S,C199S Authors: Park, J.B. / Yoo, Y. / Kim, 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 | ![]() | 130.6 KB | Display | ![]() |
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PDB format | ![]() | 101.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 442.2 KB | Display | ![]() |
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Full document | ![]() | 449.8 KB | Display | |
Data in XML | ![]() | 23 KB | Display | |
Data in CIF | ![]() | 32 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5h60S S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 38073.988 Da / Num. of mol.: 2 / Mutation: C21S, C199S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Production host: ![]() ![]() References: UniProt: A0A0D7C3R7 #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.55 Å3/Da / Density % sol: 51.8 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion / Details: 0.8M LiCl2, 0.1M Tris-HCl (pH8.5), 8%(w/v) PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 20, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→67.8 Å / Num. obs: 45767 / % possible obs: 99.7 % / Redundancy: 13.6 % / Rmerge(I) obs: 0.111 / Net I/σ(I): 15.5 |
Reflection shell | Resolution: 2.1→2.16 Å / Rmerge(I) obs: 0.941 / Num. unique obs: 2651 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5H60 Resolution: 2.1→44.42 Å / Cor.coef. Fo:Fc: 0.909 / Cor.coef. Fo:Fc free: 0.883 / SU B: 7.621 / SU ML: 0.191 / Cross valid method: THROUGHOUT / ESU R: 0.247 / ESU R Free: 0.211 / Stereochemistry target values: MAXIMUM LIKELIHOOD / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 47.772 Å2
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Refinement step | Cycle: 1 / Resolution: 2.1→44.42 Å
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Refine LS restraints |
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