Mass: 18.015 Da / Num. of mol.: 312 / Source method: isolated from a natural source / Formula: H2O
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Details
Compound details
ENGINEERED RESIDUE IN CHAIN A, TYR 39 TO ASP ENGINEERED RESIDUE IN CHAIN A, GLN 151 TO ASN ...ENGINEERED RESIDUE IN CHAIN A, TYR 39 TO ASP ENGINEERED RESIDUE IN CHAIN A, GLN 151 TO ASN ENGINEERED RESIDUE IN CHAIN A, ARG 178 TO LYS ENGINEERED RESIDUE IN CHAIN A, ALA 182 TO PRO ENGINEERED RESIDUE IN CHAIN A, ILE 183 TO VAL ENGINEERED RESIDUE IN CHAIN A, HIS 229 TO TYR ENGINEERED RESIDUE IN CHAIN A, ILE 256 TO LEU ENGINEERED RESIDUE IN CHAIN A, ASN 287 TO THR ENGINEERED RESIDUE IN CHAIN A, THR 288 TO GLN ENGINEERED RESIDUE IN CHAIN A, VAL 294 TO THR ENGINEERED RESIDUE IN CHAIN A, ALA 314 TO THR ENGINEERED RESIDUE IN CHAIN A, GLU 329 TO LYS ENGINEERED RESIDUE IN CHAIN A, ARG 356 TO ASN ENGINEERED RESIDUE IN CHAIN A, SER 358 TO THR ENGINEERED RESIDUE IN CHAIN A, ALA 423 TO VAL
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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: 3.56 Å3/Da / Density % sol: 65.43 % / Description: NONE
Resolution: 2.3→34.26 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.92 / SU B: 5.027 / SU ML: 0.122 / Cross valid method: THROUGHOUT / ESU R: 0.243 / ESU R Free: 0.196 / 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
0.22463
1642
5.1 %
RANDOM
Rwork
0.18867
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obs
0.1905
30601
95.34 %
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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