Mass: 104616.969 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (yeast) Strain: ATCC 204508 / S288c / Gene: ACC1, ABP2, FAS3, MTR7, YNR016C, N3175 / Production host: Escherichia coli (E. coli) References: UniProt: Q00955, acetyl-CoA carboxylase, biotin carboxylase
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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: 2.8 Å3/Da / Density % sol: 56.11 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 80 mM HEPES (pH 7.5), 9.6% (w/v) PEG6000, 1.6% (v/v) MPD, 60 mM sodium citrate, and 80 mM NaI
Method to determine structure: MOLECULAR REPLACEMENT Starting model: AC1-2, AC3-5 Resolution: 3→42.63 Å / Cor.coef. Fo:Fc: 0.916 / Cor.coef. Fo:Fc free: 0.876 / SU B: 23.047 / SU ML: 0.406 / Cross valid method: THROUGHOUT / ESU R Free: 0.502 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS TENTATIVE SEGMENT. THE ACTUAL RESIDUE ASSIGNMENT FOR SEGMENT 1154-1161 IN CHAIN A IS TENTATIVE DUE TO NO LARGE SIDE CHAINS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28867
2290
5.1 %
RANDOM
Rwork
0.22964
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obs
0.23262
42803
97.83 %
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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