- PDB-8uy1: Methylenetetrahydrofolate reductase from Chaetomium thermophilum ... -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 8uy1
Title
Methylenetetrahydrofolate reductase from Chaetomium thermophilum DSM 1495, Active (R) State
Components
Methylenetetrahydrofolate reductase-like protein
Keywords
OXIDOREDUCTASE / methylenetetrahydrofolate reductase / NADPH activity / oxidoreductase activity / acting on the CH-NH group of donors / NAD or NADP as acceptor cobalamin binding / one-carbon metabolism
Function / homology
Function and homology information
methylenetetrahydrofolate reductase (NAD(P)H) activity / methionine biosynthetic process / tetrahydrofolate interconversion / FAD binding / cytosol Similarity search - Function
D: Methylenetetrahydrofolate reductase-like protein A: Methylenetetrahydrofolate reductase-like protein B: Methylenetetrahydrofolate reductase-like protein C: Methylenetetrahydrofolate reductase-like protein hetero molecules
Mass: 18.015 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interest
Y
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 3 Å3/Da / Density % sol: 58.93 %
Crystal grow
Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 1-1 ratio protein to reservoir solution Protein: 25 mM Tris, pH 7.4, 50 mM potassium chloride, 500 uM FAD, and 1 mM TCEP Reservoir Solution: 0.1 M HEPES, pH 7.5, 0.1 mM potassium chloride, ...Details: 1-1 ratio protein to reservoir solution Protein: 25 mM Tris, pH 7.4, 50 mM potassium chloride, 500 uM FAD, and 1 mM TCEP Reservoir Solution: 0.1 M HEPES, pH 7.5, 0.1 mM potassium chloride, 20 mM magnesium chloride, 22% poly(acrylic acid sodium salt) 5,100
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Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.49→52.04 Å / Cor.coef. Fo:Fc: 0.906 / Cor.coef. Fo:Fc free: 0.914 / SU B: 82.341 / SU ML: 0.527 / Cross valid method: THROUGHOUT / ESU R Free: 0.623 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25564
2181
5 %
RANDOM
Rwork
0.21556
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obs
0.21759
41089
99.41 %
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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