Mass: 18.015 Da / Num. of mol.: 90 / Source method: isolated from a natural source / Formula: H2O
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Details
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
Nonpolymer details
SULPHATE ION (SO4): FROM CRYSTALLIZATION CONDITIONS. GLYCEROL (GOL): FROM CRYOPROTECTANT SOLUTION. ...SULPHATE ION (SO4): FROM CRYSTALLIZATION CONDITIONS. GLYCEROL (GOL): FROM CRYOPROTECTANT SOLUTION. BETA-MERCAPTOETHANOL (BME): FROM STORAGE SOLUTION. DI(HYDROXYETHYL)ETHER (PEG): FROM CRYSTALLIZATION CONDITIONS.
Sequence details
THE DEPOSITED SEQUENCE CONTAINS THREE MUTATIONS WITH RESPECT TO THE WILD-TYPE SEQUENCE RECORDED ON ...THE DEPOSITED SEQUENCE CONTAINS THREE MUTATIONS WITH RESPECT TO THE WILD-TYPE SEQUENCE RECORDED ON UNIPROT ( I33Q, Y214Q AND R280Y).
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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: 59.25 % / Description: NONE
Resolution: 2.5→44 Å / Cor.coef. Fo:Fc: 0.928 / Cor.coef. Fo:Fc free: 0.907 / SU B: 7.002 / SU ML: 0.158 / Cross valid method: THROUGHOUT / ESU R: 0.357 / ESU R Free: 0.288 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.26231
936
5.1 %
RANDOM
Rwork
0.21664
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obs
0.21899
17527
99.35 %
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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