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Yorodumi- PDB-1mww: THE STRUCTURE OF THE HYPOTHETICAL PROTEIN HI1388.1 FROM HAEMOPHIL... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1mww | ||||||
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Title | THE STRUCTURE OF THE HYPOTHETICAL PROTEIN HI1388.1 FROM HAEMOPHILUS INFLUENZAE REVEALS A TAUTOMERASE/MIF FOLD | ||||||
Components | HYPOTHETICAL PROTEIN HI1388.1 | ||||||
Keywords | STRUCTURAL GENOMICS / UNKNOWN FUNCTION / I1388.1 / HYPOTHETICAL PROTEIN / Structure 2 Function Project / S2F | ||||||
Function / homology | Tautomerase, MSAD family / Tautomerase enzyme / Macrophage Migration Inhibitory Factor / Macrophage Migration Inhibitory Factor / Tautomerase/MIF superfamily / 2-Layer Sandwich / Alpha Beta / GLUTAMIC ACID / Uncharacterized protein HI_1388.1 Function and homology information | ||||||
Biological species | Haemophilus influenzae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.08 Å | ||||||
Authors | Lehmann, C. / Pullalarevu, S. / Krajewski, W. / Galkin, A. / Howard, A. / Herzberg, O. / Structure 2 Function Project (S2F) | ||||||
Citation | Journal: To be Published Title: Structure of the Hypothetical Protein HI1388.1 from Haemophilus influenzae Authors: Lehmann, C. / Pullalarevu, S. / Krajewski, W. / Galkin, A. / Howard, A. / Herzberg, O. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1mww.cif.gz | 91.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1mww.ent.gz | 71.4 KB | Display | PDB format |
PDBx/mmJSON format | 1mww.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1mww_validation.pdf.gz | 461.4 KB | Display | wwPDB validaton report |
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Full document | 1mww_full_validation.pdf.gz | 473.7 KB | Display | |
Data in XML | 1mww_validation.xml.gz | 21.2 KB | Display | |
Data in CIF | 1mww_validation.cif.gz | 30.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mw/1mww ftp://data.pdbj.org/pub/pdb/validation_reports/mw/1mww | HTTPS FTP |
-Related structure data
Related structure data | 1otfS S: Starting model for refinement |
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Similar structure data | |
Other databases |
-Links
-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: 14985.425 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Haemophilus influenzae (bacteria) / Gene: HI1388.1 / Plasmid: PET100 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: O86237 #2: Chemical | ChemComp-CL / | #3: Chemical | ChemComp-GLU / | #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: 2.14 Å3/Da / Density % sol: 46.36 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 50% MPD, 0.1M NACACODYLATE, 0.2M NAGLUTAMATE, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 0.9724 / Wavelength: 0.9724 Å |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Jul 7, 2002 / Details: MIRROR |
Radiation | Monochromator: CRYOGENICALLY-COOLED SI(111) DOUBLE-CRYSTAL SYSTEM Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9724 Å / Relative weight: 1 |
Reflection | Resolution: 2.08→19.83 Å / Num. obs: 24983 / % possible obs: 98.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 14.9 % / Biso Wilson estimate: 29.8 Å2 / Rmerge(I) obs: 0.048 / Net I/σ(I): 15.5 |
Reflection shell | Resolution: 2.08→2.15 Å / Rmerge(I) obs: 0.305 / Mean I/σ(I) obs: 8.96 / Num. unique all: 24986 / % possible all: 89.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1OTF Resolution: 2.08→19.83 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-228 | ||||||||||||||||||||
Displacement parameters | Biso mean: 32.6 Å2 | ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.08→19.83 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.08→2.17 Å
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