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- PDB-1ifg: CRYSTAL STRUCTURE OF A MONOMERIC FORM OF GENERAL PROTEASE INHIBIT... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ifg | ||||||
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Title | CRYSTAL STRUCTURE OF A MONOMERIC FORM OF GENERAL PROTEASE INHIBITOR, ECOTIN IN ABSENCE OF A PROTEASE | ||||||
![]() | ECOTIN![]() | ||||||
![]() | hydrolase inhibitor / monomeric ecotin / ![]() | ||||||
Function / homology | ![]() serine-type endopeptidase inhibitor activity / outer membrane-bounded periplasmic space / protein homodimerization activity Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Eggers, C.T. / Wang, S.X. / Fletterick, R.J. / Craik, C.S. | ||||||
![]() | ![]() Title: The role of ecotin dimerization in protease inhibition. Authors: Eggers, C.T. / Wang, S.X. / Fletterick, R.J. / Craik, C.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 41.4 KB | Display | ![]() |
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PDB format | ![]() | 28 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1ecyS 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 on special symmetry positions |
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Components
#1: Protein | ![]() Mass: 15849.198 Da / Num. of mol.: 1 / Fragment: RESIDUES 26-162 OF ECOTIN PRECURSOR Mutation: INSERTION AFTER TRP130 THE SEQUENCE OF ALA-ASP-GLY Source method: isolated from a genetically manipulated source Details: MONOMERIC FORM / Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.77 Å3/Da / Density % sol: 55.67 % | ||||||||||||||||||||||||||||||
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: PEG 4000, glycerol, Tris, Sodium Acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 298K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jun 15, 1999 / Details: mirrors |
Radiation | Monochromator: 0.87 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2→20 Å / Num. all: 12036 / Num. obs: 11496 / % possible obs: 95.8 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 1 / Redundancy: 6 % / Biso Wilson estimate: 21.2 Å2 / Rmerge(I) obs: 0.093 / Net I/σ(I): 19 |
Reflection shell | Resolution: 1.98→2.02 Å / Redundancy: 6 % / Rmerge(I) obs: 0.472 / Mean I/σ(I) obs: 4.7 / Num. unique all: 835 / Rsym value: 0.472 / % possible all: 99.9 |
Reflection | *PLUS Num. measured all: 200193 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1ECY with last ten residues deleted Resolution: 2→19.92 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 593458.54 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2 / σ(I): 1
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 71.32 Å2 / ksol: 0.523 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 42.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→19.92 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.023 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS σ(F): 2 / % reflection Rfree: 10.2 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 42.7 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.284 / % reflection Rfree: 9.3 % / Rfactor Rwork: 0.271 |