Mass: 18.015 Da / Num. of mol.: 423 / 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: 2.82 Å3/Da / Density % sol: 56.46 %
Crystal grow
Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 20 % PEG3350, 0.2 M sodium tartrate. Crystals of the adduct were obtained by soaking procedure, adding 1 uL of cisplatin solution 10 mM to the drop containing thaumatin crystals
Resolution: 1.45→53.97 Å / Cor.coef. Fo:Fc: 0.983 / Cor.coef. Fo:Fc free: 0.968 / SU B: 1.966 / SU ML: 0.032 / Cross valid method: THROUGHOUT / ESU R: 0.052 / ESU R Free: 0.052 / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.15369
2147
4.9 %
RANDOM
Rwork
0.1124
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obs
0.11444
41675
94.89 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å