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.: 234 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, CYS 110 TO LEU ENGINEERED RESIDUE IN CHAIN A, GLU 111 TO GLN ...ENGINEERED RESIDUE IN CHAIN A, CYS 110 TO LEU ENGINEERED RESIDUE IN CHAIN A, GLU 111 TO GLN ENGINEERED RESIDUE IN CHAIN A, CYS 171 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 178 TO ALA ENGINEERED RESIDUE IN CHAIN A, CYS 257 TO VAL ENGINEERED RESIDUE IN CHAIN A, CYS 414 TO LEU ENGINEERED RESIDUE IN CHAIN A, CYS 573 TO ASN ENGINEERED RESIDUE IN CHAIN A, CYS 590 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 789 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 812 TO ALA ENGINEERED RESIDUE IN CHAIN A, CYS 819 TO ALA ENGINEERED RESIDUE IN CHAIN A, CYS 904 TO SER ENGINEERED RESIDUE IN CHAIN A, CYS 966 TO ASN ENGINEERED RESIDUE IN CHAIN A, CYS 974 TO ALA ENGINEERED RESIDUE IN CHAIN B, CYS 110 TO LEU ENGINEERED RESIDUE IN CHAIN B, GLU 111 TO GLN ENGINEERED RESIDUE IN CHAIN B, CYS 171 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 178 TO ALA ENGINEERED RESIDUE IN CHAIN B, CYS 257 TO VAL ENGINEERED RESIDUE IN CHAIN B, CYS 414 TO LEU ENGINEERED RESIDUE IN CHAIN B, CYS 573 TO ASN ENGINEERED RESIDUE IN CHAIN B, CYS 590 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 789 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 812 TO ALA ENGINEERED RESIDUE IN CHAIN B, CYS 819 TO ALA ENGINEERED RESIDUE IN CHAIN B, CYS 904 TO SER ENGINEERED RESIDUE IN CHAIN B, CYS 966 TO ASN ENGINEERED RESIDUE IN CHAIN B, CYS 974 TO ALA
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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: 4.02 Å3/Da / Density % sol: 69.17 % / Description: NONE
Method to determine structure: OTHER Starting model: NONE Resolution: 2.59→49.44 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.919 / SU B: 7.958 / SU ML: 0.171 / Cross valid method: THROUGHOUT / ESU R: 0.306 / ESU R Free: 0.238 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.232
5511
5 %
RANDOM
Rwork
0.187
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obs
0.189
104637
99.9 %
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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