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- PDB-7a3m: Synergistic stabilization of a double mutant in CI2 from an in-ce... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7a3m | ||||||
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Title | Synergistic stabilization of a double mutant in CI2 from an in-cell library screen | ||||||
![]() | Subtilisin-chymotrypsin inhibitor-2A | ||||||
![]() | PROTEIN BINDING / Chymotrypsin inhibitor CI-2 / mutant | ||||||
Function / homology | Proteinase inhibitor I13, potato inhibitor I / Proteinase inhibitor I13, potato inhibitor I superfamily / Potato inhibitor I family / Potato inhibitor I family signature. / serine-type endopeptidase inhibitor activity / response to wounding / Subtilisin-chymotrypsin inhibitor-2A![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() ![]() | ||||||
![]() | Olsen, J.G. / Teilum, K. / Hamborg, L. / Roche, J.V. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli. Authors: Hamborg, L. / Granata, D. / Olsen, J.G. / Roche, J.V. / Pedersen, L.E. / Nielsen, A.T. / Lindorff-Larsen, K. / Teilum, K. #1: ![]() Title: Synergistic stabilization of a double mutant in CI2 from an in-cell library screen Authors: Hamborg, L. / Granata, D. / Olsen, J.G. / Roche, J.V. / Pedersen, L.E. / Nielsen, A.T. / Lindorff-Larsen, K. / Teilum, K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 44.6 KB | Display | ![]() |
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PDB format | ![]() | 30.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 238.5 KB | Display | ![]() |
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Full document | ![]() | 238.5 KB | Display | |
Data in XML | ![]() | 2.7 KB | Display | |
Data in CIF | ![]() | 4.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7a1hC ![]() 7aokC ![]() 7aonC ![]() 7a2e ![]() 7a2c C: citing same article ( 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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Unit cell |
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Components
#1: Protein | Mass: 7299.596 Da / Num. of mol.: 1 / Mutation: I57V Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Production host: ![]() ![]() References: UniProt: P01053 |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 47 % / Description: Beautiful, thick hexagonal plates |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 40 % (NH4)2SO4, 50 mM Tris-HCl, pH 8.0 |
-Data collection
Diffraction | Mean temperature: 120 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jun 14, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.006→59.27 Å / Num. obs: 29926 / % possible obs: 95.4 % / Redundancy: 32.4 % / CC1/2: 1 / Rpim(I) all: 0.015 / Net I/σ(I): 22.9 |
Reflection shell | Resolution: 1.006→1.069 Å / Redundancy: 5.9 % / Mean I/σ(I) obs: 1.2 / Num. unique obs: 1496 / CC1/2: 0.498 / Rpim(I) all: 0.506 / % possible all: 60.7 |
-Phasing
Phasing | Method: ![]() |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: 7A2E ![]() 7a2e Resolution: 1.01→59.27 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.946 / SU B: 0.789 / SU ML: 0.018 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.027 / ESU R Free: 0.03 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 max: 67.71 Å2 / Biso mean: 14.761 Å2 / Biso min: 6.05 Å2
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Refinement step | Cycle: final / Resolution: 1.01→59.27 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.01→1.032 Å / Rfactor Rfree error: 0
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