SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Mass: 18.015 Da / Num. of mol.: 463 / Source method: isolated from a natural source / Formula: H2O
Sequence details
THE AUTHORS REPORT THAT THIS IS MANUALLY SEQUENCED ENTRY FROM AN UNKNOWN STRAIN OF Y. ...THE AUTHORS REPORT THAT THIS IS MANUALLY SEQUENCED ENTRY FROM AN UNKNOWN STRAIN OF Y. ENTEROCOLITICA FROM THE ATCC STRAIN 9610. THIS STRAIN MATCHES THE SEQUENCED AND ANNOTATED ATCC 8081 STRAIN. THIS PARTICULAR SEQUENCE DOES NOT HAVE A UNIPROT ENTRY BUT DOES HAVE THE GENBANK CODE OF CAL10303.1.
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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: 2.57 Å3/Da / Density % sol: 51.7 %
Method to determine structure: SAD / Resolution: 2.19→34.42 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.923 / SU B: 4.49 / SU ML: 0.12 / Cross valid method: THROUGHOUT / ESU R: 0.243 / ESU R Free: 0.194 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.228
3457
5.1 %
RANDOM
Rwork
0.185
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obs
0.187
64794
99.5 %
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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: MASK