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- PDB-4q0w: he catalytic core of Rad2 in complex with DNA substrate (complex II) -
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Open data
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Basic information
Entry | Database: PDB / ID: 4q0w | ||||||
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Title | he catalytic core of Rad2 in complex with DNA substrate (complex II) | ||||||
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![]() | Hydrolase/DNA / ba Rossmann-like / DNA repair / TFIIH / nucleus / Hydrolase-DNA complex | ||||||
Function / homology | ![]() nucleotide-excision repair factor 3 complex / single-stranded DNA endodeoxyribonuclease activity / Dual incision in TC-NER / DNA endonuclease activity / nucleotide-excision repair / single-stranded DNA binding / transcription by RNA polymerase II / Hydrolases; Acting on ester bonds / nucleus / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Mietus, M. / Nowak, E. / Jaciuk, M. / Kustosz, P. / Nowotny, M. | ||||||
![]() | ![]() Title: Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. Authors: Mietus, M. / Nowak, E. / Jaciuk, M. / Kustosz, P. / Studnicka, J. / Nowotny, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 172.2 KB | Display | ![]() |
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PDB format | ![]() | 130 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 447.9 KB | Display | ![]() |
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Full document | ![]() | 450.8 KB | Display | |
Data in XML | ![]() | 29.7 KB | Display | |
Data in CIF | ![]() | 44.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4q0rSC ![]() 4q0zC ![]() 4q10C S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 42189.062 Da / Num. of mol.: 2 / Fragment: Rad2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC 204508 / S288c / Gene: RAD2, YGR258C / Production host: ![]() ![]() References: UniProt: P07276, Hydrolases; Acting on ester bonds |
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-DNA chain , 2 types, 2 molecules CD
#2: DNA chain | Mass: 5408.500 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#3: DNA chain | Mass: 5586.625 Da / Num. of mol.: 1 / Source method: obtained synthetically |
-Non-polymers , 3 types, 571 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/K.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/K.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.76 Å3/Da / Density % sol: 55.41 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 9% (w/v) PEG 20000, 20% (v/v) PEG MME 550, 0.2 M D-glucose, 0.2 M D-mannose, 0.2 M D-galactose, 0.2 M L-fructose, 0.2 M D-xylose, 0.2 M N-acetyl-D-glucosamine, and 0.1 M MOPS/HEPES-Na, pH 7. ...Details: 9% (w/v) PEG 20000, 20% (v/v) PEG MME 550, 0.2 M D-glucose, 0.2 M D-mannose, 0.2 M D-galactose, 0.2 M L-fructose, 0.2 M D-xylose, 0.2 M N-acetyl-D-glucosamine, and 0.1 M MOPS/HEPES-Na, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX-225 / Detector: CCD / Date: May 23, 2013 |
Radiation | Monochromator: double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8944 Å / Relative weight: 1 |
Reflection | Resolution: 2.14→40 Å / Num. all: 62290 / Num. obs: 62159 / % possible obs: 99.79 % / Observed criterion σ(F): 2.1 / Observed criterion σ(I): 2.1 / Redundancy: 7.1 % / Rmerge(I) obs: 0.088 |
Reflection shell | Resolution: 2.1→2.14 Å / Redundancy: 6.3 % / Rmerge(I) obs: 0.831 / Mean I/σ(I) obs: 2.1 / % possible all: 99.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: pdb entry 4Q0R Resolution: 2.1→30.386 Å / SU ML: 0.23 / σ(F): 1.34 / Phase error: 23.31 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→30.386 Å
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Refine LS restraints |
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LS refinement shell |
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