Mass: 18.015 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: H2O
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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: 2.76 Å3/Da / Density % sol: 55.4 %
Crystal grow
Temperature: 294 K / Method: vapor diffusion, hanging drop Details: 1 mM ds DNA with 5 mM zinc acetate and 2 mM spermine was incubated against 55% (v/v) 2-methyl-2,4-pentanediol (MPD)
Method to determine structure: SAD / Resolution: 2.3→40 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.934 / SU B: 12.47 / SU ML: 0.219 / Cross valid method: THROUGHOUT / ESU R: 0.345 / ESU R Free: 0.245 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27582
111
4.7 %
RANDOM
Rwork
0.25346
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obs
0.2545
2266
99.12 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å