Mass: 18.015 Da / Num. of mol.: 72 / 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
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Sample preparation
Crystal
Density Matthews: 2.5 Å3/Da / Density % sol: 50.76 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop Details: protein 20 mg/ml, 1.34 M sodium citrate in 0.1 M Tris-HCl pH 7.5 and 5 mM tetracaine
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Data collection
Diffraction
Mean temperature: 120 K
Diffraction source
Source: SEALED TUBE / Type: OTHER / Wavelength: 1.54 Å
Resolution: 2.2→14.22 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.906 / SU B: 5.437 / SU ML: 0.141 / Cross valid method: THROUGHOUT / ESU R: 0.062 / ESU R Free: 0.05 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26452
1029
10.6 %
RANDOM
Rwork
0.19995
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obs
0.20687
8640
98.63 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK