Mass: 18.015 Da / Num. of mol.: 354 / Source method: isolated from a natural source / Formula: H2O
-
Details
Compound details
ENGINEERED RESIDUE IN CHAIN A, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN A, PHE 336 TO MET ...ENGINEERED RESIDUE IN CHAIN A, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN A, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN A, ASN 338 TO GLN ENGINEERED RESIDUE IN CHAIN A, ILE 341 TO VAL ENGINEERED RESIDUE IN CHAIN A, LEU 409 TO PHE ENGINEERED RESIDUE IN CHAIN C, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN C, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN C, ASN 338 TO GLN ENGINEERED RESIDUE IN CHAIN C, ILE 341 TO VAL ENGINEERED RESIDUE IN CHAIN C, LEU 409 TO PHE ENGINEERED RESIDUE IN CHAIN E, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN E, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN E, ASN 338 TO GLN ENGINEERED RESIDUE IN CHAIN E, ILE 341 TO VAL ENGINEERED RESIDUE IN CHAIN E, LEU 409 TO PHE ENGINEERED RESIDUE IN CHAIN G, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN G, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN G, ASN 338 TO GLN ENGINEERED RESIDUE IN CHAIN G, ILE 341 TO VAL ENGINEERED RESIDUE IN CHAIN G, LEU 409 TO PHE ENGINEERED RESIDUE IN CHAIN I, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN I, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN I, ASN 338 TO GLN ENGINEERED RESIDUE IN CHAIN I, ILE 341 TO VAL ENGINEERED RESIDUE IN CHAIN I, LEU 409 TO PHE ENGINEERED RESIDUE IN CHAIN K, THR 335 TO ALA ENGINEERED RESIDUE IN CHAIN K, PHE 336 TO MET ENGINEERED RESIDUE IN CHAIN K, ASN 338 TO GLN ENGINEERED RESIDUE IN CHAIN K, ILE 341 TO VAL ENGINEERED RESIDUE IN CHAIN K, LEU 409 TO PHE
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.22 Å3/Da / Density % sol: 44.72 % / Description: NONE
Resolution: 2.6→137.36 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.88 / SU B: 35.906 / SU ML: 0.372 / Cross valid method: THROUGHOUT / ESU R: 0.23 / ESU R Free: 0.448 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28023
4927
5.1 %
RANDOM
Rwork
0.21493
-
-
-
obs
0.2182
92527
77.71 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK