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- PDB-1qw0: Crystal Structure of Haemophilus influenzae N175L mutant Holo Fer... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1qw0 | ||||||
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Title | Crystal Structure of Haemophilus influenzae N175L mutant Holo Ferric ion-Binding Protein A | ||||||
![]() | Iron-utilization periplasmic protein | ||||||
![]() | METAL BINDING PROTEIN | ||||||
Function / homology | ![]() transmembrane transport / iron ion transport / outer membrane-bounded periplasmic space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Shouldice, S.R. / Skene, R.J. / Dougan, D.R. / McRee, D.E. / Tari, L.W. / Schryvers, A.B. | ||||||
![]() | ![]() Title: Presence of ferric hydroxide clusters in mutants of Haemophilus influenzae ferric ion-binding protein A Authors: Shouldice, S.R. / Skene, R.J. / Dougan, D.R. / McRee, D.E. / Tari, L.W. / Schryvers, A.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 | ![]() | 76.1 KB | Display | ![]() |
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PDB format | ![]() | 54.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 434.8 KB | Display | ![]() |
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Full document | ![]() | 436 KB | Display | |
Data in XML | ![]() | 14.8 KB | Display | |
Data in CIF | ![]() | 21.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1qvsC ![]() 1d9vS C: citing same article ( 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: 33768.305 Da / Num. of mol.: 1 / Mutation: N175L Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-FE / #3: Chemical | ChemComp-PO4 / | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.39 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8.2 Details: PEG 550 MME, Tris, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS HTC / Detector: IMAGE PLATE / Date: Jul 5, 2002 / Details: mirrors |
Radiation | Monochromator: Yale Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→62.02 Å / Num. all: 21885 / Num. obs: 20739 / % possible obs: 97.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 1.9→1.97 Å / % possible all: 90.8 |
Reflection | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 62 Å / % possible obs: 97.2 % / Redundancy: 5.7 % / Rmerge(I) obs: 0.063 |
Reflection shell | *PLUS % possible obs: 90.8 % / Rmerge(I) obs: 0.168 / Mean I/σ(I) obs: 3.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1D9V Resolution: 1.9→62.02 Å / Cor.coef. Fo:Fc: 0.917 / Cor.coef. Fo:Fc free: 0.883 / SU B: 4.18 / SU ML: 0.122 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.204 / ESU R Free: 0.182 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.033 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→62.02 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.948 Å / Total num. of bins used: 20 /
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Refinement | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 62 Å / Rfactor Rfree: 0.271 / Rfactor Rwork: 0.22 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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