+Open data
-Basic information
Entry | Database: PDB / ID: 1f77 | ||||||
---|---|---|---|---|---|---|---|
Title | STAPHYLOCOCCAL ENTEROTOXIN H DETERMINED TO 2.4 A RESOLUTION | ||||||
Components | ENTEROTOXIN H | ||||||
Keywords | TOXIN / beta-barrel / beta-grasp | ||||||
Function / homology | Function and homology information MHC class II protein binding / T cell receptor binding / toxin activity / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | Staphylococcus aureus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.4 Å | ||||||
Authors | Hakansson, M. / Petersson, K. / Nilsson, H. / Forsberg, G. / Bjork, P. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2000 Title: The crystal structure of staphylococcal enterotoxin H: implications for binding properties to MHC class II and TcR molecules. Authors: Hakansson, M. / Petersson, K. / Nilsson, H. / Forsberg, G. / Bjork, P. / Antonsson, P. / Svensson, L.A. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1f77.cif.gz | 96.6 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1f77.ent.gz | 78.9 KB | Display | PDB format |
PDBx/mmJSON format | 1f77.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1f77_validation.pdf.gz | 383.9 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1f77_full_validation.pdf.gz | 391.5 KB | Display | |
Data in XML | 1f77_validation.xml.gz | 10.5 KB | Display | |
Data in CIF | 1f77_validation.cif.gz | 16.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f7/1f77 ftp://data.pdbj.org/pub/pdb/validation_reports/f7/1f77 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
2 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 25180.240 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Plasmid: PLR16 / Production host: Escherichia coli (E. coli) / Strain (production host): UL635 / References: UniProt: P0A0M0 #2: Chemical | ChemComp-SO4 / #3: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.9 Å3/Da / Density % sol: 57.6 % | ||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | Temperature: 298 K / Method: evaporation / pH: 4.3 Details: 16% PEG 8000, 500 mM Li2SO4, 5 mM CaCl2, pH 4.3, EVAPORATION, temperature 298K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: MAX II / Beamline: I711 / Wavelength: 0.935 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Aug 18, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.935 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→25 Å / Num. all: 79561 / Num. obs: 23703 / % possible obs: 95 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.5 % / Biso Wilson estimate: 34.9 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 14.8 |
Reflection shell | Resolution: 2.4→2.5 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.326 / Num. unique all: 2583 / % possible all: 97 |
Reflection | *PLUS Highest resolution: 2.4 Å / % possible obs: 95.8 % / Rmerge(I) obs: 0.08 |
Reflection shell | *PLUS % possible obs: 97 % |
-Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Resolution: 2.4→15 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber / Details: Used maximum likelihood function
| |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→15 Å
| |||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||
Software | *PLUS Name: CNS / Version: 0.9 / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.4 Å / Lowest resolution: 15 Å / σ(F): 0 / Rfactor obs: 0.214 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: c_angle_d |