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Open data
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Basic information
Entry | Database: PDB / ID: 7lvc | ||||||||||||
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Title | E. coli DHFR by Native Mn,P,S-SAD at Room Temperature | ||||||||||||
![]() | Dihydrofolate reductase | ||||||||||||
![]() | OXIDOREDUCTASE / Dihydrofolate Reductase | ||||||||||||
Function / homology | ![]() methotrexate binding / dihydrofolic acid binding / response to methotrexate / NADP+ binding / folic acid binding / dihydrofolate metabolic process / dihydrofolate reductase / dihydrofolate reductase activity / folic acid metabolic process / NADPH binding ...methotrexate binding / dihydrofolic acid binding / response to methotrexate / NADP+ binding / folic acid binding / dihydrofolate metabolic process / dihydrofolate reductase / dihydrofolate reductase activity / folic acid metabolic process / NADPH binding / tetrahydrofolate biosynthetic process / one-carbon metabolic process / NADP binding / response to xenobiotic stimulus / response to antibiotic / cytosol Similarity search - Function | ||||||||||||
Biological species | ![]() ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Greisman, J.B. / Dalton, K.M. / Hekstra, D.R. | ||||||||||||
Funding support | ![]()
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![]() | ![]() Title: Native SAD phasing at room temperature. Authors: Greisman, J.B. / Dalton, K.M. / Sheehan, C.J. / Klureza, M.A. / Kurinov, I. / Hekstra, D.R. #1: ![]() Title: Native SAD phasing at room temperature Authors: Greisman, J.B. / Dalton, K.M. / Sheehan, C.J. / Klureza, M.A. / Kurinov, I. / 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 | ![]() | 129 KB | Display | ![]() |
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PDB format | ![]() | 95.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7l84C ![]() 7mm1C ![]() 7rinC C: citing same article ( |
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Similar structure data | |
Experimental dataset #1 | Data reference: ![]() |
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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.) ![]() ![]() Strain: K12 / Gene: folA, tmrA, b0048, JW0047 / Production host: ![]() ![]() | ||||
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#2: Chemical | ChemComp-FOL / | ||||
#3: Chemical | ChemComp-NAP / | ||||
#4: Chemical | ChemComp-MN / #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.14 Å3/Da / Density % sol: 42.6 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop 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: 295 K / Ambient temp details: ambient / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jul 17, 2019 |
Radiation | Monochromator: M / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.892 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→49.52 Å / Num. obs: 27966 / % possible obs: 85.52 % / Redundancy: 29.4 % / Biso Wilson estimate: 12.78 Å2 / CC1/2: 0.998 / CC star: 1 / Rmerge(I) obs: 0.1012 / Rpim(I) all: 0.01671 / Rrim(I) all: 0.1026 / Net I/σ(I): 30.18 |
Reflection shell | Resolution: 1.7→1.77 Å / Redundancy: 4.5 % / Rmerge(I) obs: 0.2227 / Mean I/σ(I) obs: 4.42 / Num. unique obs: 720 / CC1/2: 0.945 / CC star: 0.986 / Rpim(I) all: 0.1143 / Rrim(I) all: 0.2512 / % possible all: 22.11 |
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Processing
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Refinement | Method to determine structure: ![]() 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: 16.83 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→49.52 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 23.575962697 Å / Origin y: 21.4047757535 Å / Origin z: 35.5768107525 Å
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Refinement TLS group | Selection details: all |