Mass: 18.015 Da / Num. of mol.: 12 / 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: 2.44 Å3/Da / Density % sol: 49.58 %
Crystal grow
Temperature: 294 K / Method: vapor diffusion, hanging drop Details: 1 mM ds DNA with 5 mM zinc acetate incubated against 55% (v/v) 2-methyl-2,4-pentanediol (MPD)
Method to determine structure: SAD / Resolution: 1.65→30 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.946 / SU B: 10.898 / SU ML: 0.12 / Cross valid method: THROUGHOUT / ESU R: 0.135 / ESU R Free: 0.107 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25535
141
4.6 %
RANDOM
Rwork
0.21395
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obs
0.21607
2909
96.86 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å