SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AC", "BC" IN EACH CHAIN ON SHEET RECORDS ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AC", "BC" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 18.015 Da / Num. of mol.: 741 / Source method: isolated from a natural source / Formula: H2O
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Details
Nonpolymer details
N'-OCTYL(CYCLIC GUANIDINE)-NOJIRIMYCIN (MT5): ALIPHATIC TAIL IS INVISIBLE IN ELECTRON DENSITY AND, ...N'-OCTYL(CYCLIC GUANIDINE)-NOJIRIMYCIN (MT5): ALIPHATIC TAIL IS INVISIBLE IN ELECTRON DENSITY AND, THEREFORE, IS ABSENT FROM THE STRUCTURE
Sequence details
TWO ADDITIONAL AMINO ACIDS AT THE N-TERMINAL (EF) AND SIX AMINO ACIDS AT THE C-TERMINAL (LLVDTM)
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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: 2.2 Å3/Da / Density % sol: 45 % / Description: NONE
Resolution: 2.3→19.74 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.939 / SU B: 5.402 / SU ML: 0.132 / Cross valid method: THROUGHOUT / ESU R: 0.303 / ESU R Free: 0.201 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ALIPHATIC TAIL OF THE INHIBITOR WAS NOT MODELED INTO THE STRUCTURE. FLEXIBLE REGIONS THAT SHOW NO CLEAR ELECTRON DENSITY WERE NOT MODELED INTO THE STRUCTURE.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.194
2346
5 %
RANDOM
Rwork
0.135
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obs
0.138
44184
99.7 %
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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