SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 10-STRANDED BARREL THIS IS REPRESENTED BY A 11-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 18.015 Da / Num. of mol.: 372 / Source method: isolated from a natural source / Formula: H2O
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Details
Sequence details
THE N-TERMINAL SIGNAL PEPTIDE, (SEQUENCE MKKKLFIRGIFILVSVMSVVAYLVFQGIFIPNQISA WAS REPLACED BY A ...THE N-TERMINAL SIGNAL PEPTIDE, (SEQUENCE MKKKLFIRGIFILVSVMSVVAYLVFQGIFIPNQISA WAS REPLACED BY A VECTOR DERIVED HEXAHISTIDINE TAG, (SEQUENCE MGSSHHHHHHM).
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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: 3.1 Å3/Da / Density % sol: 61 % / Description: NONE
Crystal grow
Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 2.1M NH4 SO4, 0.1M TRIS PH 8.5.
Resolution: 1.4→33.73 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.947 / SU B: 0.832 / SU ML: 0.034 / Cross valid method: THROUGHOUT / ESU R: 0.059 / ESU R Free: 0.061 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21217
3191
5.1 %
RANDOM
Rwork
0.18733
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obs
0.18859
59675
99.76 %
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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