Mass: 18.015 Da / Num. of mol.: 589 / 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: 2.78 Å3/Da / Density % sol: 55.74 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.6 Details: N9 crystals were grown by-hanging drop vapour diffusion against a reservoir of 1.9M potassium phosphate, pH 6.8, starting with equal volumes of N9 NA solution (10 to 15 mg/ml in water) and ...Details: N9 crystals were grown by-hanging drop vapour diffusion against a reservoir of 1.9M potassium phosphate, pH 6.8, starting with equal volumes of N9 NA solution (10 to 15 mg/ml in water) and potassium phosphate buffer 1.4M KH2PO4: 3M K2HPO4 in ratio 8:4, pH 6.6 at 20 degrees celsius. Large rhombic dodecahedral crystals grew within a few days.
Resolution: 1.29→30.89 Å / Cor.coef. Fo:Fc: 0.985 / Cor.coef. Fo:Fc free: 0.981 / SU B: 0.929 / SU ML: 0.035 / Cross valid method: THROUGHOUT / ESU R: 0.038 / ESU R Free: 0.041 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16367
6189
5.1 %
RANDOM
Rwork
0.14127
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obs
0.14238
116150
99.96 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å