+Open data
-Basic information
Entry | Database: PDB / ID: 1gut | ||||||
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Title | MopII from Clostridium pasteurianum (apo2) | ||||||
Components | MOLYBDATE BINDING PROTEIN II | ||||||
Keywords | TRANSPORT PROTEIN / MOLYBDATE BINDING / MOP | ||||||
Function / homology | Function and homology information | ||||||
Biological species | CLOSTRIDIUM PASTEURIANUM (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.5 Å | ||||||
Authors | Schuettelkopf, A.W. / Harrison, J.A. / Hunter, W.N. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2002 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1gut.cif.gz | 169.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1gut.ent.gz | 138.5 KB | Display | PDB format |
PDBx/mmJSON format | 1gut.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1gut_validation.pdf.gz | 460 KB | Display | wwPDB validaton report |
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Full document | 1gut_full_validation.pdf.gz | 464.6 KB | Display | |
Data in XML | 1gut_validation.xml.gz | 20.3 KB | Display | |
Data in CIF | 1gut_validation.cif.gz | 30.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gu/1gut ftp://data.pdbj.org/pub/pdb/validation_reports/gu/1gut | HTTPS FTP |
-Related structure data
Related structure data | 1gugSC 1gunC 1guoC 1gusC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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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.) CLOSTRIDIUM PASTEURIANUM (bacteria) / Plasmid: PET15B / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: P08854 #2: Chemical | ChemComp-CL / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44 % | ||||||||||||||||||||||||
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Crystal grow | pH: 7.6 / Details: 2M NACL, 10% POLYETHYLENE GLYCOL 6000, pH 7.60 | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 293 K / pH: 7.5 / Method: vapor diffusion, hanging dropDetails: Harrison, J.A., (2001) Acta Crystallogr., D57, 1715. | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.54 |
Detector | Type: RIGAKU IMAGE PLATE / Detector: IMAGE PLATE / Date: Jul 15, 2001 / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→30 Å / Num. obs: 55394 / % possible obs: 95.5 % / Redundancy: 4 % / Rmerge(I) obs: 0.067 / Net I/σ(I): 18.9 |
Reflection shell | Resolution: 1.5→1.53 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.248 / Mean I/σ(I) obs: 4.2 / % possible all: 85.4 |
Reflection | *PLUS Num. measured all: 1132889 |
Reflection shell | *PLUS % possible obs: 85.4 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1GUG Resolution: 1.5→25 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.948 / SU B: 3.52 / SU ML: 0.055 / Cross valid method: THROUGHOUT / ESU R: 0.105 / ESU R Free: 0.085 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: 1.5→25 Å
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Refine LS restraints |
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