Mass: 18.015 Da / Num. of mol.: 762 / Source method: isolated from a natural source / Formula: H2O
Nonpolymer details
SINEFUNGIN IS REPRESENTED AS ADENOSYL-ORNITHINE (SFG). WE OBSERVE SOME POSITIVE DENSITY NEAR THE ...SINEFUNGIN IS REPRESENTED AS ADENOSYL-ORNITHINE (SFG). WE OBSERVE SOME POSITIVE DENSITY NEAR THE SINEFUNGIN MOLECULE THAT WE CANNOT BUILD INTO. WE ONLY OBSERVE IT FOR THE SINEFUNGIN DATA AND NOT FROM THE S-ADENOSYL HOMOCYSTEINE. MOST LIKELY DUE TO A CONTAMINANT FROM THE SINEFUNGIN COMPOUND. ZN ION WAS BUILT IN SOME DENSITY WE COULD NOT ACCOUNT FOR. THE FLUORESCENT SCAN AT THE BEAMLINE REVEALED ZN AND THE ANOMALOUS MAP MATCHED THAT PEAK. WE DO NOT SEE THIS PEAK FOR THE S-ADENOSYL HOMOCYSTEINE DATA (PROBABLY DUE TO A CONTAMINANT FROM THE SINEFUNGIN COMPOUND).
Sequence details
THE I2V MUTATION WAS FROM CLONING TO THE HO SITE.
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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: 2.39 Å3/Da / Density % sol: 48.5 % / Description: NONE
Resolution: 1.9→40 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.911 / SU B: 7.621 / SU ML: 0.105 / Cross valid method: THROUGHOUT / ESU R: 0.17 / ESU R Free: 0.162 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23423
3183
5.1 %
RANDOM
Rwork
0.17456
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obs
0.17766
59055
93.8 %
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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