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Open data
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Basic information
Entry | Database: PDB / ID: 2q7a | ||||||
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Title | Crystal structure of the cell surface heme transfer protein Shp | ||||||
![]() | Cell surface heme-binding protein | ||||||
![]() | heme binding protein / beta sandwich | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Aranda IV, R. / Worley, C.E. / Bitto, E. / Phillips Jr., G.N. | ||||||
![]() | ![]() Title: Bis-methionyl coordination in the crystal structure of the heme-binding domain of the streptococcal cell surface protein Shp. Authors: Aranda IV, R. / Worley, C.E. / Liu, M. / Bitto, E. / Cates, M.S. / Olson, J.S. / Lei, B. / Phillips Jr., G.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 85.4 KB | Display | ![]() |
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PDB format | ![]() | 64.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.7 MB | Display | ![]() |
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Full document | ![]() | 1.7 MB | Display | |
Data in XML | ![]() | 18.7 KB | Display | |
Data in CIF | ![]() | 26.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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3 |
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Unit cell |
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Details | there are two biological units of Shp180 in the asymmetric unit. |
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Components
#1: Protein | Mass: 16619.590 Da / Num. of mol.: 2 / Fragment: Shp180 / Mutation: C37S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-HEM / #3: Chemical | ChemComp-GOL / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.12 Å3/Da / Density % sol: 60.57 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 0.8M ammonium sulfate, 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction |
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Diffraction source |
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Detector |
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Radiation |
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Radiation wavelength |
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Reflection | Resolution: 2.1→80 Å / Num. obs: 23738 / % possible obs: 99.6 % / Redundancy: 10.8 % / Rmerge(I) obs: 0.115 / Χ2: 1.035 / Net I/σ(I): 20.4 | ||||||||||||||||||
Reflection shell | Resolution: 2.1→2.15 Å / Redundancy: 7.1 % / Rmerge(I) obs: 0.593 / Mean I/σ(I) obs: 2.3 / Num. unique all: 1496 / Χ2: 0.934 / % possible all: 95.2 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.782 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→41.17 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.155 Å / Total num. of bins used: 20
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