Mass: 18.015 Da / Num. of mol.: 178 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THERE ARE CONFLICTS BETWEEN SEQUENCE MODELLED IN THE STRUCTURE AND THE SEQUENCE DEPOSITED. WE HAVE ...THERE ARE CONFLICTS BETWEEN SEQUENCE MODELLED IN THE STRUCTURE AND THE SEQUENCE DEPOSITED. WE HAVE MODELLED OUR SEQUENCE BASED ON THE DENSITY OBSERVED
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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: 2.27 Å3/Da / Density % sol: 45.29 % / Description: NONE
Crystal grow
Details: 100MM TRIS HCL, PH 8.5, 50 MM CACL2, 30% (W/V) PEG 10000
Resolution: 2.01→50.71 Å / Cor.coef. Fo:Fc: 0.922 / Cor.coef. Fo:Fc free: 0.884 / SU B: 9.617 / SU ML: 0.233 / Cross valid method: THROUGHOUT / ESU R: 0.053 / ESU R Free: 0.046 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. TLS AND TWIN REFINEMENT USED. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28983
1383
4.9 %
RANDOM
Rwork
0.23309
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obs
0.23591
26940
96.85 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK