+Open data
-Basic information
Entry | Database: PDB / ID: 1c2a | ||||||
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Title | CRYSTAL STRUCTURE OF BARLEY BBI | ||||||
Components | BOWMAN-BIRK TRYPSIN INHIBITOR | ||||||
Keywords | HYDROLASE INHIBITOR / ALL-BETA STRUCTURE | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Hordeum vulgare (barley) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.9 Å | ||||||
Authors | Song, H.K. / Kim, Y.S. / Yang, J.K. / Moon, J. / Lee, J.Y. / Suh, S.W. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1999 Title: Crystal structure of a 16 kDa double-headed Bowman-Birk trypsin inhibitor from barley seeds at 1.9 A resolution. Authors: Song, H.K. / Kim, Y.S. / Yang, J.K. / Moon, J. / Lee, J.Y. / Suh, S.W. #1: Journal: Acta Crystallogr.,Sect.D / Year: 1998 Title: Preliminary X-ray Crystallographic Analysis of Bowman-Birk Trypsin Inhibitor from Barley Seeds Authors: Song, H.K. / Suh, S.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1c2a.cif.gz | 31.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1c2a.ent.gz | 23.7 KB | Display | PDB format |
PDBx/mmJSON format | 1c2a.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1c2a_validation.pdf.gz | 398.4 KB | Display | wwPDB validaton report |
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Full document | 1c2a_full_validation.pdf.gz | 398.4 KB | Display | |
Data in XML | 1c2a_validation.xml.gz | 6.6 KB | Display | |
Data in CIF | 1c2a_validation.cif.gz | 8.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c2/1c2a ftp://data.pdbj.org/pub/pdb/validation_reports/c2/1c2a | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 13420.770 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Hordeum vulgare (barley) / References: UniProt: P12940 |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.44 Å3/Da / Density % sol: 64.21 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, hanging drop / pH: 6.23 Details: PEG 3000, SODIUM CITRATE, pH 6.23, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Details: Song, H.K., (1997) Acta Crystallogr., Sect., D54, 441. | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 283 K |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-6A / Wavelength: 1 |
Detector | Type: FUJI / Detector: IMAGE PLATE / Date: Jun 20, 1994 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→50 Å / Num. all: 133929 / Num. obs: 13611 / % possible obs: 88 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 9.8 % / Biso Wilson estimate: 30 Å2 / Rmerge(I) obs: 0.058 / Net I/σ(I): 15 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 5.3 % / Rmerge(I) obs: 0.194 / % possible all: 74.1 |
Reflection | *PLUS Num. measured all: 133929 |
Reflection shell | *PLUS % possible obs: 74.1 % |
-Processing
Software |
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Refinement | Resolution: 1.9→8 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: ENGH & HUBER
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Refinement step | Cycle: LAST / Resolution: 1.9→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.843 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 8 Å / Num. reflection all: 13294 / σ(F): 0 / % reflection Rfree: 5 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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