+Open data
-Basic information
Entry | Database: PDB / ID: 1o81 | ||||||
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Title | Tryparedoxin II from C.fasciculata solved by sulphur phasing | ||||||
Components | TRYPAREDOXIN II | ||||||
Keywords | ELECTRON TRANSPORT / TRYPAREDOXIN II / SULPHUR PHASING / SAD / S-SAD | ||||||
Function / homology | Function and homology information protein-disulfide reductase / thioredoxin-disulfide reductase (NADPH) activity Similarity search - Function | ||||||
Biological species | CRITHIDIA FASCICULATA (eukaryote) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / OTHER / Resolution: 1.5 Å | ||||||
Authors | Leonard, G.A. / Micossi, E. / Hunter, W.N. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2002 Title: De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for ...Title: De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures Authors: Micossi, E. / Hunter, W.N. / Leonard, G.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1o81.cif.gz | 73.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1o81.ent.gz | 59.8 KB | Display | PDB format |
PDBx/mmJSON format | 1o81.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1o81_validation.pdf.gz | 449.1 KB | Display | wwPDB validaton report |
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Full document | 1o81_full_validation.pdf.gz | 454 KB | Display | |
Data in XML | 1o81_validation.xml.gz | 17.3 KB | Display | |
Data in CIF | 1o81_validation.cif.gz | 25.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o8/1o81 ftp://data.pdbj.org/pub/pdb/validation_reports/o8/1o81 | HTTPS FTP |
-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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.3608, 0.3246, -0.8743), Vector: |
-Components
#1: Protein | Mass: 17163.721 Da / Num. of mol.: 2 / Fragment: RESIDUES 14-165 Source method: isolated from a genetically manipulated source Source: (gene. exp.) CRITHIDIA FASCICULATA (eukaryote) / Plasmid: PET15B / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O77093 #2: Chemical | ChemComp-SO4 / | #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: 2.3 Å3/Da / Density % sol: 46 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: pH 6.50 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 1.77 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Mar 15, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.77 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→40 Å / Num. obs: 57687 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / Redundancy: 8.1 % / Biso Wilson estimate: 19 Å2 / Rsym value: 0.045 / Net I/σ(I): 37.6 |
Reflection shell | Resolution: 1.5→1.53 Å / Mean I/σ(I) obs: 2.1 / Rsym value: 0.354 / % possible all: 95.5 |
-Processing
Software |
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Refinement | Method to determine structure: OTHER / Resolution: 1.5→40 Å / SU B: 1.96 / SU ML: 0.074 / Cross valid method: THROUGHOUT / ESU R: 0.078 / ESU R Free: 0.077 / Details: CNS USED IN INITIAL STAGES
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Displacement parameters | Biso mean: 18.64 Å2
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Refinement step | Cycle: LAST / Resolution: 1.5→40 Å
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