Mass: 18.015 Da / Num. of mol.: 241 / 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: 2.83 Å3/Da / Density % sol: 56.14 % / Description: NONE
Crystal grow
pH: 5.5 Details: DROP WAS 45% PROTEIN SOLUTION (11MG/ML) OF 50 MM TRIS, PH7.6, 150 MM NACL, MIXED WITH 45% 2 M AMMONIUM SULFATE, 0.1 M BIS-TRIS, PH 5.5, AND 10% 2 M NASCN.
Resolution: 2.2→47.88 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.922 / SU B: 4.573 / SU ML: 0.118 / Cross valid method: THROUGHOUT / ESU R: 0.202 / ESU R Free: 0.188 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23578
1846
5.2 %
RANDOM
Rwork
0.17846
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obs
0.18141
33751
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 / Solvent model: MASK