+Open data
-Basic information
Entry | Database: PDB / ID: 2qil | ||||||
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Title | TOXIC SHOCK SYNDROME TOXIN-1 AT 2.07 A RESOLUTION | ||||||
Components | TOXIC SHOCK SYNDROME TOXIN-1 | ||||||
Keywords | STAPHYLOCOCCAL ENTEROTOXIN / SUPERANTIGEN / TOXIC SHOCK SYNDROME TOXIN | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Staphylococcus aureus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.07 Å | ||||||
Authors | Acharya, K.R. / Papageorgiou, A.C. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1996 Title: The refined crystal structure of toxic shock syndrome toxin-1 at 2.07 A resolution. Authors: Papageorgiou, A.C. / Brehm, R.D. / Leonidas, D.D. / Tranter, H.S. / Acharya, K.R. #1: Journal: Bacterial Superantigens: Structure, Function and Therapeutic Potential Year: 1995 Title: Molecular Topology is Important for the Function of Staphylococcal Superantigens Authors: Tranter, H. / Brehm, R.D. / Acharya, K.R. #2: Journal: Structure / Year: 1995 Title: Crystal Structure of the Superantigen Enterotoxin C2 from Staphylococcus Aureus Reveals a Zinc-Binding Site Authors: Papageorgiou, A.C. / Acharya, K.R. / Shapiro, R. / Passalacqua, E.F. / Brehm, R.D. / Tranter, H.S. #3: Journal: Nature / Year: 1994 Title: Structural Basis of Superantigen Action Inferred from Crystal Structure of Toxic-Shock Syndrome Toxin-1 Authors: Acharya, K.R. / Passalacqua, E.F. / Jones, E.Y. / Harlos, K. / Stuart, D.I. / Brehm, R.D. / Tranter, H.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2qil.cif.gz | 125.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2qil.ent.gz | 99.9 KB | Display | PDB format |
PDBx/mmJSON format | 2qil.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2qil_validation.pdf.gz | 368.6 KB | Display | wwPDB validaton report |
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Full document | 2qil_full_validation.pdf.gz | 372.7 KB | Display | |
Data in XML | 2qil_validation.xml.gz | 11.9 KB | Display | |
Data in CIF | 2qil_validation.cif.gz | 19 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qi/2qil ftp://data.pdbj.org/pub/pdb/validation_reports/qi/2qil | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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-Components
#1: Protein | Mass: 22103.770 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Source: (natural) Staphylococcus aureus (bacteria) / Strain: MN8 / References: UniProt: P06886 #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.6 Å3/Da / Density % sol: 60 % Description: THREE DATA SETS WERE COLLECTED AND MERGED TO GIVE A MASTER DATA SET USED DURING REFINEMENT. | ||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 4.6 / Method: vapor diffusion, hanging dropDetails: drop solution was mixed with an equal volume of reservoir solution | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 1.542 |
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Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.542 Å / Relative weight: 1 |
Reflection | Num. obs: 52377 / % possible obs: 89.5 % / Observed criterion σ(I): 0 / Rmerge(I) obs: 0.086 |
Reflection | *PLUS Highest resolution: 2.07 Å / Lowest resolution: 50 Å / Num. measured all: 257472 |
-Processing
Software |
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Refinement | Resolution: 2.07→8 Å / σ(F): 0 /
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Displacement parameters | Biso mean: 28.2 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.3 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.07→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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