+Open data
-Basic information
Entry | Database: PDB / ID: 1a74 | ||||||
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Title | I-PPOL HOMING ENDONUCLEASE/DNA COMPLEX | ||||||
Components |
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Keywords | HYDROLASE/DNA / HOMING ENDONUCLEASE / INTRON / ZINC FINGER / DNA BINDING / PROTEIN FOLDING / COMPLEX (HOMING ENDONUCLEASE-DNA) / HYDROLASE-DNA COMPLEX | ||||||
Function / homology | Function and homology information intron homing / endonuclease activity / Hydrolases; Acting on ester bonds Similarity search - Function | ||||||
Biological species | Physarum polycephalum (eukaryote) | ||||||
Method | X-RAY DIFFRACTION / MIR / Resolution: 2.2 Å | ||||||
Authors | Jurica, B.L. / Flick, K.E. / Monnat Junior, R.J. / Stoddard, M.S. | ||||||
Citation | Journal: Nature / Year: 1998 Title: DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI. Authors: Flick, K.E. / Jurica, M.S. / Monnat Jr., R.J. / Stoddard, B.L. #1: Journal: Protein Sci. / Year: 1997 Title: Crystallization and Preliminary X-Ray Studies of I-Ppoi: A Nuclear, Intron- Encoded Homing Endonuclease from Physarum Polycephalum Authors: Flick, K.E. / Mchugh, D. / Heath, J.D. / Stephens, K.M. / Monnat Junior, R.J. / Stoddard, B.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1a74.cif.gz | 102.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1a74.ent.gz | 74.7 KB | Display | PDB format |
PDBx/mmJSON format | 1a74.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1a74_validation.pdf.gz | 385.8 KB | Display | wwPDB validaton report |
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Full document | 1a74_full_validation.pdf.gz | 394.5 KB | Display | |
Data in XML | 1a74_validation.xml.gz | 9 KB | Display | |
Data in CIF | 1a74_validation.cif.gz | 14.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a7/1a74 ftp://data.pdbj.org/pub/pdb/validation_reports/a7/1a74 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: generate Matrix: (-0.970715, 0.239393, 0.020068), Vector: |
-Components
#1: DNA chain | Mass: 6437.184 Da / Num. of mol.: 2 / Source method: obtained synthetically #2: Protein | Mass: 17811.242 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Physarum polycephalum (eukaryote) / Cellular location: NUCLEUS / Plasmid: PET / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: Q94702 #3: Chemical | ChemComp-ZN / #4: Water | ChemComp-HOH / | Compound details | A C 421 AND A D 421 ARE SITES OF ENDONUCLEA | |
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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: 3.4 Å3/Da / Density % sol: 60 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion / pH: 5.6 Details: THE CRYSTALS WERE GROWN FROM A 2:1 MOLAR RATIO SOLUTION OF PROTEIN AND DNA SUPPLEMENTED WITH 2.5 MM EDTA AND 5 MM SPERMINE. THE COMPLEX WAS CRYSTALLIZED FROM 21 - 27% PEG 4000, 0.1 M ...Details: THE CRYSTALS WERE GROWN FROM A 2:1 MOLAR RATIO SOLUTION OF PROTEIN AND DNA SUPPLEMENTED WITH 2.5 MM EDTA AND 5 MM SPERMINE. THE COMPLEX WAS CRYSTALLIZED FROM 21 - 27% PEG 4000, 0.1 M CITRATE, PH 5.4 - 5.8; 20 MM NACL, 2 MM EDTA., pH 5.60, VAPOR DIFFUSION PH range: 5.4-5.8 | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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Crystal | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging dropDetails: DNA:protein solution(in 2:1 ratio) was mixed with an equal volume of reservoir solution PH range low: 5.6 / PH range high: 5.4 | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Mar 15, 1998 / Details: YALE MIRRORS |
Radiation | Monochromator: YALE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.2→50 Å / Num. obs: 31357 / % possible obs: 94.8 % / Observed criterion σ(I): 2 / Redundancy: 3.58 % / Rmerge(I) obs: 0.035 / Rsym value: 0.035 / Net I/σ(I): 15 |
Reflection shell | Resolution: 2.2→2.24 Å / Redundancy: 3.58 % / Rmerge(I) obs: 0.093 / Mean I/σ(I) obs: 8 / Rsym value: 0.093 / % possible all: 75.8 |
Reflection | *PLUS Highest resolution: 1.9 Å / Num. obs: 50210 / % possible obs: 96.3 % / Redundancy: 3.58 % / Num. measured all: 179752 / Rmerge(I) obs: 0.033 |
Reflection shell | *PLUS |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 2.2→100 Å / Cross valid method: THROUGHOUT
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Displacement parameters | Biso mean: 20 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→100 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: RESTRAINTS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.2→2.3 Å / Total num. of bins used: 8
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Xplor file |
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Refinement | *PLUS Highest resolution: 1.9 Å / Rfactor obs: 0.201 / Rfactor Rfree: 0.242 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS |