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- PDB-1r8n: The Crystal Structure of the Kunitz (STI) Type Inhibitor from See... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1r8n | ||||||
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Title | The Crystal Structure of the Kunitz (STI) Type Inhibitor from Seeds of Delonix regia | ||||||
![]() | Kunitz trypsin inhibitor | ||||||
![]() | HYDROLASE INHIBITOR / Kunitz-type trypsin/kallikrein inhibitor / beta-trefoil fold / flamboyant / Delonix regia | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Krauchenco, S. / Pando, S.C. / Marangoni, S. / Polikarpov, I. | ||||||
![]() | ![]() Title: Crystal structure of the Kunitz (STI)-type inhibitor from Delonix regia seeds. Authors: Krauchenco, S. / Pando, S.C. / Marangoni, S. / Polikarpov, I. #1: ![]() Title: Purification, crystallization and preliminary crystallographic study of a Kunitz-type trypsin inhibitor from Delonix regia seeds Authors: Polikarpov, I. / Golubev, A.M. / Perles, L.A. / Pando, S.C. / Novello, J.C. / Marangoni, S. #2: ![]() Title: Primary sequence determination of a Kunitz inhibitor isolated from Delonix regia seeds Authors: Pando, S.C. / Oliva, M.L.V. / Sampaio, C.A.M. / Di Ciero, L. / Novello, J.C. / Marangoni, 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 | ![]() | 52.6 KB | Display | ![]() |
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PDB format | ![]() | 37.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 422 KB | Display | ![]() |
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Full document | ![]() | 428.3 KB | Display | |
Data in XML | ![]() | 11.6 KB | Display | |
Data in CIF | ![]() | 16.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1avuS 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: 20197.723 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.93 Å3/Da / Density % sol: 36.14 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 22% PEG8000, 0.25M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Feb 19, 2001 / Details: mirrors |
Radiation | Monochromator: triangular bent crystal monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.38 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→19.52 Å / Num. all: 30413 / Num. obs: 23454 / % possible obs: 77.1 % / Observed criterion σ(F): 0 / Redundancy: 4.6 % / Biso Wilson estimate: 21 Å2 / Rmerge(I) obs: 0.061 / Net I/σ(I): 9 |
Reflection shell | Resolution: 1.75→1.89 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.381 / Mean I/σ(I) obs: 2.4 / Num. unique all: 813 / % possible all: 35 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1AVU Resolution: 1.75→19.52 Å / Isotropic thermal model: ISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber / Details: CNS bulk solvent model used
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Displacement parameters | Biso mean: 35.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.75→19.52 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION
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Xplor file |
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