- PDB-5jlg: The X-ray structure of the adduct formed in the reaction between ... -
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Basic information
Entry
Database: PDB / ID: 5jlg
Title
The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and compound I, a piano-stool organometallic Ru(II) arene compound containing an O,S-chelating ligand
Resolution: 1.79→72.47 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.913 / SU B: 3.288 / SU ML: 0.105 / Cross valid method: THROUGHOUT / ESU R: 0.193 / ESU R Free: 0.175 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23608
906
5.1 %
RANDOM
Rwork
0.17175
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obs
0.17514
16805
78.21 %
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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