+Open data
-Basic information
Entry | Database: PDB / ID: 1sna | |||||||||
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Title | An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein | |||||||||
Components | tetrameric beta-beta-alpha mini-protein | |||||||||
Keywords | DE NOVO PROTEIN / protein design / domain swapping / mini-protein / oligomerization | |||||||||
Function / homology | ISOPROPYL ALCOHOL Function and homology information | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 1.5 Å | |||||||||
Authors | Ali, M.H. / Peisach, E. / Allen, K.N. / Imperiali, B. | |||||||||
Citation | Journal: Proc.Natl.Acad.Sci.Usa / Year: 2004 Title: X-ray structure analysis of a designed oligomeric miniprotein reveals a discrete quaternary architecture. Authors: Ali, M.H. / Peisach, E. / Allen, K.N. / Imperiali, B. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1sna.cif.gz | 37.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1sna.ent.gz | 27.5 KB | Display | PDB format |
PDBx/mmJSON format | 1sna.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sn/1sna ftp://data.pdbj.org/pub/pdb/validation_reports/sn/1sna | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein/peptide | Mass: 2666.889 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: The protein was chemically synthesized. #2: Chemical | ChemComp-IPA / | #3: 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: 1.71 Å3/Da / Density % sol: 27.96 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 100 mM HEPES-Na, 10% v/v i-propanol, 20% w/v PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X12C / Wavelength: 0.978240, 0.977939, 0.949359 | ||||||||||||
Detector | Type: ADSC QUANTUM 4 / Detector: CCD | ||||||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.5→99 Å / Num. all: 17229 / Num. obs: 17229 / % possible obs: 76 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 1.9 % / Biso Wilson estimate: 10.4 Å2 / Rmerge(I) obs: 0.035 / Net I/σ(I): 33.8 | ||||||||||||
Reflection shell | Resolution: 1.5→1.55 Å / Rmerge(I) obs: 0.066 / Mean I/σ(I) obs: 7.7 / Num. unique all: 556 / % possible all: 24.9 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 1.5→24.22 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 1162555.81 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 39.5475 Å2 / ksol: 0.341273 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 15.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.5→24.22 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.5→1.59 Å / Rfactor Rfree error: 0.031 / Total num. of bins used: 6
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