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Open data
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Basic information
Entry | Database: PDB / ID: 7bae | |||||||||
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Title | Crystal structure of PAFB | |||||||||
![]() | Antifungal protein | |||||||||
![]() | ANTIFUNGAL PROTEIN / Penicillium chrysogenum antifungal protein B / calix[n]arene / porous framework / zinc | |||||||||
Function / homology | Antifungal protein / Antifungal protein domain superfamily / Antifungal protein / defense response to fungus / killing of cells of another organism / host cell cytoplasm / extracellular region / Antifungal protein B![]() | |||||||||
Biological species | Penicillium rubens | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Guagnini, F. / Huber, A. / Alex, J.M. / Marx, F. / Crowley, P.B. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. Authors: Guagnini, F. / Huber, A. / Alex, J.M. / Marx, F. / Crowley, P.B. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 35.8 KB | Display | ![]() |
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PDB format | ![]() | 23.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 409.1 KB | Display | ![]() |
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Full document | ![]() | 409.3 KB | Display | |
Data in XML | ![]() | 4.6 KB | Display | |
Data in CIF | ![]() | 5.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7badC ![]() 7bafC ![]() 6hajS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 6516.394 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 28089 / DSM 1075 / NRRL 1951 / Wisconsin 54-1255 Gene: afp, Pc12g08290 Production host: ![]() References: UniProt: B6GXZ8 |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 44 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 4.2 Details: 0.7 mM Palmitic acid, 0.1 M Potassium phosphate citrate pH 4.2, 40 % PEG 300 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Sep 21, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98013 Å / Relative weight: 1 |
Reflection | Resolution: 1.2→31.51 Å / Num. obs: 16905 / % possible obs: 98.3 % / Redundancy: 6.7 % / CC1/2: 0.997 / Net I/σ(I): 13.9 |
Reflection shell | Resolution: 1.2→1.2 Å / Num. unique obs: 799 / CC1/2: 0.712 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6HAJ Resolution: 1.2→31.5 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.913 / SU R Cruickshank DPI: 0.046 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.049 / SU Rfree Blow DPI: 0.049 / SU Rfree Cruickshank DPI: 0.047
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Solvent computation | VDW probe radii: 11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.74 Å2
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Refine analyze | Luzzati coordinate error obs: 0.16 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.2→31.5 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.2→1.21 Å
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Refinement TLS params. | Method: refined / Origin x: 12.0151 Å / Origin y: 8.0073 Å / Origin z: 16.3364 Å
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Refinement TLS group | Selection details: { A|-2 - A|55 } |