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- PDB-3zoj: High-resolution structure of Pichia Pastoris aquaporin Aqy1 at 0.88 A -
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Open data
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Basic information
Entry | Database: PDB / ID: 3zoj | |||||||||
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Title | High-resolution structure of Pichia Pastoris aquaporin Aqy1 at 0.88 A | |||||||||
![]() | AQUAPORIN | |||||||||
![]() | MEMBRANE PROTEIN / CHANNEL | |||||||||
Function / homology | ![]() water channel activity / endoplasmic reticulum membrane / metal ion binding / plasma membrane Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Kosinska-Eriksson, U. / Fischer, G. / Friemann, R. / Enkavi, G. / Tajkhorshid, E. / Neutze, R. | |||||||||
![]() | ![]() Title: Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions Authors: Kosinska-Eriksson, U. / Fischer, G. / Friemann, R. / Enkavi, G. / Tajkhorshid, E. / Neutze, R. #1: ![]() Title: Crystal Structure of a Yeast Aquaporin at 1.15 Angstrom Reveals a Novel Gating Mechanism. Authors: Fischer, G. / Kosinska-Eriksson, U. / Aponte-Santamaria, C. / Palmgren, M. / Geijer, C. / Hedfalk, K. / Hohmann, S. / De Groot, B.L. / Neutze, R. / Lindkvist-Petersson, K. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 222.1 KB | Display | ![]() |
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PDB format | ![]() | 179.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 915.3 KB | Display | ![]() |
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Full document | ![]() | 916.3 KB | Display | |
Data in XML | ![]() | 13.8 KB | Display | |
Data in CIF | ![]() | 20.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2w2eS 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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 29932.436 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||||||
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#2: Sugar | #3: Chemical | #4: Water | ChemComp-HOH / | Nonpolymer details | CHLORIDE ION (CL): ASSIGNED BASED ON DIFFERENCE DENSITY AND CHEMICAL SANITY B-OCTYLGLUCOSIDE (BOG): ...CHLORIDE ION (CL): ASSIGNED BASED ON DIFFERENCE | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.77 Å3/Da / Density % sol: 55.6 % Description: 2 LOW-, 2 MEDIUM- AND 3 HIGH-RESOLUTION DATASETS WERE COLLECTED FROM A SINGLE CRYSTAL. |
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Crystal grow | pH: 8 / Details: 26% PEG600, 100 MM TRIS (PH=8.0), 200 MM CACL2 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 16, 2010 / Details: MIRRORS |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.65 Å / Relative weight: 1 |
Reflection | Resolution: 0.88→64 Å / Num. obs: 252057 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 13.8 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 26.2 |
Reflection shell | Resolution: 0.88→0.93 Å / Redundancy: 11 % / Rmerge(I) obs: 0.87 / Mean I/σ(I) obs: 2.8 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2W2E Resolution: 0.88→60.15 Å / Cor.coef. Fo:Fc: 0.985 / Cor.coef. Fo:Fc free: 0.98 / SU B: 0.206 / SU ML: 0.006 / Cross valid method: THROUGHOUT / ESU R: 0.009 / ESU R Free: 0.009 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. POLAR HYDROGENS WERE SET TO OCCUPANCY 0 UNLESS THEY WERE OBSERVED IN THE DIFFERENCE DENSITY. HYDROGEN ATOMS FOR WATERS IN THE CHANNEL CAN ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. POLAR HYDROGENS WERE SET TO OCCUPANCY 0 UNLESS THEY WERE OBSERVED IN THE DIFFERENCE DENSITY. HYDROGEN ATOMS FOR WATERS IN THE CHANNEL CAN BE OBSERVED THROUGH THE DIFFERENCE DENSITY BUT HAVE NOT BEEN MODELLED.
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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: 10.806 Å2
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Refinement step | Cycle: LAST / Resolution: 0.88→60.15 Å
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Refine LS restraints |
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