Mass: 18.015 Da / Num. of mol.: 147 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, ILE 33 TO GLN ENGINEERED RESIDUE IN CHAIN A, TYR 214 TO GLN ...ENGINEERED RESIDUE IN CHAIN A, ILE 33 TO GLN ENGINEERED RESIDUE IN CHAIN A, TYR 214 TO GLN ENGINEERED RESIDUE IN CHAIN A, ARG 280 TO TYR
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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: 3.02 Å3/Da / Density % sol: 59.33 % / Description: NONE
Resolution: 2.34→40.09 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.911 / SU B: 5.248 / SU ML: 0.126 / Cross valid method: THROUGHOUT / ESU R: 0.266 / ESU R Free: 0.242 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25613
1221
5.4 %
RANDOM
Rwork
0.20553
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-
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obs
0.20823
21193
99.03 %
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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