Mass: 18.015 Da / Num. of mol.: 162 / Source method: isolated from a natural source / Formula: H2O
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Details
Compound details
ENGINEERED RESIDUE IN CHAIN A, GLN 201 TO ALA ENGINEERED RESIDUE IN CHAIN B, GLN 201 TO ALA ...ENGINEERED RESIDUE IN CHAIN A, GLN 201 TO ALA ENGINEERED RESIDUE IN CHAIN B, GLN 201 TO ALA ENGINEERED RESIDUE IN CHAIN A, GLN 202 TO ALA ENGINEERED RESIDUE IN CHAIN B, GLN 202 TO ALA
Nonpolymer details
ETHYLENE GLYCOL (EDO): ETHYLENE GLYCOL WAS THE CRYOPROTECTANT GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) ...ETHYLENE GLYCOL (EDO): ETHYLENE GLYCOL WAS THE CRYOPROTECTANT GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER (GDX): GDP-MANNOSE IS THE SUGAR DONOR SUBSTRATE FOR MGS CHLORIDE (CL): CHLORIDE OCCUPIES THE POSITION OF THE SUGAR ACCEPTOR OF MGS
Sequence details
C-TERMINAL TRUNCATION OF LAST 15 RESIDUES. Q201 AND Q202 WERE BOTH MUTATED TO ALANINES FOR SURFACE ...C-TERMINAL TRUNCATION OF LAST 15 RESIDUES. Q201 AND Q202 WERE BOTH MUTATED TO ALANINES FOR SURFACE ENTROPY MINIMIZATION.
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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: 5.58 Å3/Da / Density % sol: 78 % / Description: NONE
Crystal grow
pH: 5 Details: 4% V/V ETHYLENE GLYCOL, 0.1 M BIS-TRIS PROPANE, PH 5.5, 0.3 M MAGNESIUM FORMATE
Resolution: 2.7→129.47 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.923 / SU B: 7.432 / SU ML: 0.151 / Cross valid method: THROUGHOUT / ESU R: 0.276 / ESU R Free: 0.219 / 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
0.21878
2704
5.1 %
RANDOM
Rwork
0.19136
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obs
0.19279
47729
96.12 %
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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