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- PDB-1gun: MopII from Clostridium pasteurianum complexed with molybdate (partial) -
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Open data
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Basic information
Entry | Database: PDB / ID: 1gun | ||||||
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Title | MopII from Clostridium pasteurianum complexed with molybdate (partial) | ||||||
![]() | MOLYBDATE BINDING PROTEIN II | ||||||
![]() | TRANSPORT PROTEIN / MOLBINDIN / MOLYBDATE BINDING / MOP | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Schuettelkopf, A.W. / Harrison, J.A. / Hunter, W.N. | ||||||
![]() | ![]() Title: Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms Authors: Schuettelkopf, A.W. / Harrison, J.A. / Boxer, D.H. / Hunter, W.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 | ![]() | 88.7 KB | Display | ![]() |
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PDB format | ![]() | 69 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 468.4 KB | Display | ![]() |
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Full document | ![]() | 469.8 KB | Display | |
Data in XML | ![]() | 17 KB | Display | |
Data in CIF | ![]() | 25.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1gugSC ![]() 1guoC ![]() 1gusC ![]() 1gutC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 7017.250 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-MOO / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 51 % | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.6 Details: 95 MM HEPES PH 7.5, 27% POLYETHYLENE GLYCOL 400, 5% GLYCEROL, 190 MM CACL2 | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 293 unknown / Method: vapor diffusion, hanging dropDetails: Harrison, J.A., (2001) Acta Crystallogr., D57, 1715. pH: 7.5 | |||||||||||||||||||||||||||||||||||||||||||||||||
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: ADSC CCD / Detector: CCD / Date: Feb 15, 2001 / Details: MIRRORS |
Radiation | Monochromator: SI MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 1.83→20 Å / Num. obs: 36043 / % possible obs: 97.4 % / Redundancy: 2.8 % / Rmerge(I) obs: 0.055 / Net I/σ(I): 16.7 |
Reflection shell | Resolution: 1.83→1.9 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.336 / Mean I/σ(I) obs: 3.7 / % possible all: 98.8 |
Reflection | *PLUS Num. measured all: 206409 |
Reflection shell | *PLUS % possible obs: 98.8 % |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1GUG Resolution: 1.83→19.61 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.922 / SU B: 3.26 / SU ML: 0.101 / Cross valid method: THROUGHOUT / ESU R: 0.151 / ESU R Free: 0.139 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: THE DATA SET WAS ORIGINALLY PROCESSED/SCALED IN AN ORTHORHOMBIC SPACE GROUP, BUT COULD NOT BE REFINED WITH THE ADDITIONAL CRYSTALLOGRAPHIC SYMMETRY.
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.83→19.61 Å
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Refine LS restraints |
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