Mass: 18.015 Da / Num. of mol.: 27 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, SER 72 TO ASN ENGINEERED RESIDUE IN CHAIN B, SER 72 TO ASN ...ENGINEERED RESIDUE IN CHAIN A, SER 72 TO ASN ENGINEERED RESIDUE IN CHAIN B, SER 72 TO ASN ENGINEERED RESIDUE IN CHAIN C, SER 72 TO ASN ENGINEERED RESIDUE IN CHAIN D, SER 72 TO ASN ENGINEERED RESIDUE IN CHAIN E, SER 72 TO ASN ENGINEERED RESIDUE IN CHAIN F, SER 72 TO ASN
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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: 2.9 Å3/Da / Density % sol: 57 % / Description: NONE
Crystal grow
Details: 100 MM BIS-TRIS PROPANE (PH 8.5), 200 MM KSCN AND 13% PEG 3350 (V/V)
Resolution: 2.72→25 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.936 / SU B: 38.109 / SU ML: 0.334 / Cross valid method: THROUGHOUT / ESU R: 0.984 / ESU R Free: 0.336 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24508
825
5.8 %
RANDOM
Rwork
0.20703
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obs
0.20931
13396
90.71 %
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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