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Open data
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Basic information
Entry | Database: PDB / ID: 4alq | ||||||
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Title | X-Ray photoreduction of Polysaccharide monooxygenase CBM33 | ||||||
![]() | CHITIN BINDING PROTEIN | ||||||
![]() | CHITIN-BINDING PROTEIN / CHITIN DEGRADATION / MICROSPECTROPHOTOMETRY / X-RAY INDUCED PHOTO REDUCTION | ||||||
Function / homology | ![]() lytic chitin monooxygenase / chitin catabolic process / chitin binding / polysaccharide catabolic process / monooxygenase activity / copper ion binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Gudmundsson, M. / Wu, M. / Ishida, T. / Momeni, M.H. / Vaaje-Kolstad, G. / Eijsink, V. / Sandgren, M. | ||||||
![]() | ![]() Title: Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction. Authors: Gudmundsson, M. / Kim, S. / Wu, M. / Ishida, T. / Haddad Momeni, M. / Vaaje-Kolstad, G. / Lundberg, D. / Royant, A. / Stahlberg, J. / Eijsink, V.G. / Beckham, G.T. / Sandgren, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 55.5 KB | Display | ![]() |
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PDB format | ![]() | 37.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 415.4 KB | Display | ![]() |
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Full document | ![]() | 415.5 KB | Display | |
Data in XML | ![]() | 11.6 KB | Display | |
Data in CIF | ![]() | 17.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4alcC ![]() 4aleC ![]() 4alrC ![]() 4alsC ![]() 4altC ![]() 2bemS 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: 18339.301 Da / Num. of mol.: 1 / Fragment: RESIDUES 29-194 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-CU / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.98 Å3/Da / Density % sol: 37.88 % / Description: NONE |
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Crystal grow | Method: vapor diffusion, sitting drop / pH: 7.5 Details: 20%(W/V) PEG-8000 AND 0.1 M HEPES PH 7.5 SITTING DROP VAPOR DIFFUSION |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Dec 3, 2011 / Details: SAGITALLY FOCUSING GE(220) AND A MULTILAYER |
Radiation | Monochromator: DIAMOND (111), GE(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9334 Å / Relative weight: 1 |
Reflection | Resolution: 1.48→48.68 Å / Num. obs: 24358 / % possible obs: 96.6 % / Observed criterion σ(I): 2 / Redundancy: 3.3 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 11.6 |
Reflection shell | Resolution: 1.48→1.56 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.24 / Mean I/σ(I) obs: 4.7 / % possible all: 91.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2BEM Resolution: 1.48→39.65 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.939 / SU B: 1.043 / SU ML: 0.041 / Cross valid method: THROUGHOUT / ESU R: 0.075 / ESU R Free: 0.075 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. U VALUES REFINED INDIVIDUALLY
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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: 9.504 Å2
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Refinement step | Cycle: LAST / Resolution: 1.48→39.65 Å
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Refine LS restraints |
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