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Open data
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Basic information
Entry | Database: PDB / ID: 7fq6 | |||||||||||||||
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Title | DHFR:NADP+:FOL complex at 310 K (multi-crystal) | |||||||||||||||
![]() | Dihydrofolate reductase![]() | |||||||||||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||||||||
Biological species | ![]() ![]() ![]() | |||||||||||||||
Method | ![]() ![]() ![]() | |||||||||||||||
![]() | Greisman, J.B. / Dalton, K.M. / Brookner, D.E. / Hekstra, D.R. | |||||||||||||||
Funding support | ![]()
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![]() | ![]() Title: DHFR:NADP+:FOL complex at 310 K Authors: Greisman, J.B. / Dalton, K.M. / Brookner, D.E. / Hekstra, D.R. | |||||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 135.3 KB | Display | ![]() |
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PDB format | ![]() | 109.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Group deposition
ID | G_1002249 (4 entries) |
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Title | DHFR:NADP+:FOL complex at 310 K |
Type | undefined |
Description | DHFR:NADP+:FOL complex at 310 K |
-Related structure data
Related structure data | ![]() 7lvcS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | ![]() Mass: 18051.338 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-FOL / ![]() | ||||
#3: Chemical | ChemComp-NAP / ![]() | ||||
#4: Chemical | ChemComp-MN / #5: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.21 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 5.6 Details: 20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2 PH range: 5.4 - 5.8 |
-Data collection
Diffraction | Mean temperature: 310 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER2 S 16M / Detector: PIXEL / Date: Nov 20, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.29→99.25 Å / Num. obs: 74931 / % possible obs: 99.8 % / Redundancy: 82.2 % / Biso Wilson estimate: 18.97 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.884 / Rpim(I) all: 0.098 / Net I/σ(I): 31.6 |
Reflection shell | Resolution: 1.29→1.31 Å / % possible obs: 94 % / Redundancy: 84.7 % / Rmerge(I) obs: 7.79 / Mean I/σ(I) obs: 0.6 / Num. unique obs: 3378 / CC1/2: 0.326 / Rpim(I) all: 0.839 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 7LVC Resolution: 1.29→26.72 Å / SU ML: 0.2051 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 20.5341 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.21 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.29→26.72 Å
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Refine LS restraints |
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LS refinement shell |
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