Mass: 18.015 Da / Num. of mol.: 242 / 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: 2.15 Å3/Da / Density % sol: 42.77 %
Crystal grow
Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: WT-TTR at 4 mg/mL and five-fold molar excess compound 201 crystallized from solution containing 1.395 M sodium citrate, 3.5% v/v glycerol at pH 5.5. Crystals cryoprotected by addition of 10% (v/v) glycerol.
Resolution: 1.4→33.1 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.974 / SU B: 2.004 / SU ML: 0.035 / Cross valid method: THROUGHOUT / ESU R: 0.054 / ESU R Free: 0.052 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16721
2409
5.1 %
RANDOM
Rwork
0.13256
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obs
0.13429
45137
99.6 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å