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Open data
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Basic information
Entry | Database: PDB / ID: 2x46 | ||||||
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Title | Crystal Structure of SeMet Arg r 1 | ||||||
![]() | ALLERGEN ARG R 1 | ||||||
![]() | ALLERGEN | ||||||
Function / homology | ![]() amine binding / symbiont-mediated perturbation of host defenses / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Paesen, G.C. / Siebold, C. / Syme, N. / Harlos, K. / Graham, S.C. / Hilger, C. / Homans, S.W. / Hentges, F. / Stuart, D.I. | ||||||
![]() | ![]() Title: Crystal Structure of the Allergen Arg R 1, a Histamine-Binding Lipocalin from a Soft Tick Authors: Paesen, G.C. / Siebold, C. / Syme, N. / Harlos, K. / Graham, S.C. / Hilger, C. / Homans, S.W. / Hentges, F. / Stuart, D.I. | ||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 77.6 KB | Display | ![]() |
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PDB format | ![]() | 61.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 431.2 KB | Display | ![]() |
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Full document | ![]() | 432.1 KB | Display | |
Data in XML | ![]() | 11.3 KB | Display | |
Data in CIF | ![]() | 17 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 15692.000 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-TRS / |
#3: Water | ChemComp-HOH / |
Compound details | ENGINEERED |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.78 Å3/Da / Density % sol: 31.08 % / Description: NONE |
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Crystal grow | pH: 8.5 Details: 30% POLYETHYLENE GLYCOL 4000, 0.1 M TRIS.HCL, PH 8.5, 0.2 M SODIUM ACETATE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Feb 16, 2007 |
Radiation | Monochromator: MAR CCD 225 / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8 Å / Relative weight: 1 |
Reflection | Resolution: 1→30 Å / Num. obs: 61187 / % possible obs: 99.5 % / Observed criterion σ(I): 0 / Redundancy: 8.4 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 26.8 |
Reflection shell | Resolution: 1→1.1 Å / Redundancy: 7.1 % / Rmerge(I) obs: 0.17 / Mean I/σ(I) obs: 10 / % possible all: 98.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: NONE Resolution: 1→30 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.967 / SU B: 0.508 / SU ML: 0.013 / Cross valid method: THROUGHOUT / ESU R: 0.024 / ESU R Free: 0.025 / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 7.279 Å2
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Refinement step | Cycle: LAST / Resolution: 1→30 Å
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Refine LS restraints |
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