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- PDB-4ioj: N10-formyltetrahydrofolate synthetase from Moorella thermoacetica... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ioj | ||||||
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Title | N10-formyltetrahydrofolate synthetase from Moorella thermoacetica with sulfate | ||||||
![]() | Formate--tetrahydrofolate ligase | ||||||
![]() | LIGASE / alpha/beta / enzyme | ||||||
Function / homology | ![]() formate-tetrahydrofolate ligase / formate-tetrahydrofolate ligase activity / tetrahydrofolate interconversion / ATP binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Stec, B. | ||||||
![]() | ![]() Title: Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors. Authors: Celeste, L.R. / Chai, G. / Bielak, M. / Minor, W. / Lovelace, L.L. / Lebioda, L. | ||||||
History |
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Remark 0 | THIS ENTRY 4IOJ REFLECTS AN ALTERNATIVE MODELING OF THE ORIGINAL STRUCTURAL DATA R3PZXSF DETERMINED ...THIS ENTRY 4IOJ REFLECTS AN ALTERNATIVE MODELING OF THE ORIGINAL STRUCTURAL DATA R3PZXSF DETERMINED BY AUTHORS OF THE PDB ENTRY 3PZX: L.R. CELESTE, G. CHAI, M. BIELAK, W. MINOR, L.L. LOVELACE, L. LEBIODA | ||||||
Remark 200 | AUTHOR USED THE SF DATA FROM ENTRY 3PZX. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 230 KB | Display | ![]() |
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PDB format | ![]() | 184 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 463.9 KB | Display | ![]() |
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Full document | ![]() | 481.9 KB | Display | |
Data in XML | ![]() | 45.9 KB | Display | |
Data in CIF | ![]() | 66.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4iokC ![]() 4iolC ![]() 4iomC ![]() 3pzx 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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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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Components
#1: Protein | Mass: 60011.980 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q2RM91, formate-tetrahydrofolate ligase #2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-TOE / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 54.04 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 38 to 46% (w/v) saturated ammonium sulfate (AS), 1 mM DTT, and 1 to 3.5% (w/v) PEG 1000 or PEG 1450, in 50-75 mM KMB (pH 7.0 - 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.2→122.67 Å / Num. obs: 64918 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.3 % / Rmerge(I) obs: 0.076 / Net I/σ(I): 10.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 3PZX ![]() 3pzx Resolution: 2.202→122.67 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.934 / SU B: 5.661 / SU ML: 0.143 / Cross valid method: THROUGHOUT / ESU R: 0.235 / ESU R Free: 0.199 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 42.365 Å2
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Refinement step | Cycle: LAST / Resolution: 2.202→122.67 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.202→2.26 Å / Total num. of bins used: 20
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