Mass: 18.015 Da / Num. of mol.: 51 / 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: 2.62 Å3/Da / Density meas: 0.225 Mg/m3 / Density % sol: 53.02 %
Crystal grow
Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: Crystals of A223-L208M were grown by hanging drop vapour diffusion using 2 micro-L of the protein solution and 2 micro-L in 0.1 M tri-sodium citrate dihydrate pH 5.6 and 35% t-butanol.
Resolution: 1.83→20.85 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.955 / SU B: 3.216 / SU ML: 0.047 / Cross valid method: THROUGHOUT / ESU R: 0.027 / ESU R Free: 0.02 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19542
2466
5.3 %
RANDOM
Rwork
0.16364
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obs
0.16534
44222
99.8 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å