Mass: 18.015 Da / Num. of mol.: 344 / Source method: isolated from a natural source / Formula: H2O
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Details
Nonpolymer details
ALPHA-ACARBOSE (ACR): CRYSTAL WAS SOAKED FOR 1 WEEK IN A 1 MILLIMOLAR SOLUTION OF ACARBOSE MADE UP ...ALPHA-ACARBOSE (ACR): CRYSTAL WAS SOAKED FOR 1 WEEK IN A 1 MILLIMOLAR SOLUTION OF ACARBOSE MADE UP IN CRYSTALLIZATION WELL SOLUTION PYRIDOXAL-5'-PHOSPHATE (PLP): COVALENTLY LINKED TO LYS 687 OF CORRESPONDING PROTEIN CHAIN ALPHA-D-GLUCOSE (GLC): DENSITY PRESENT FOR ISOLATED MONOSACCHARIDES. THESE WERE MODELLED AS GLUCOSE MOLECULES, BUT WERE MOST LIKELY PART OF DISORDERED ACARBOSE MOLECULES.
Sequence details
A 33-RESIDUE HEXAHISTIDINE AFFINITY TAG IS APPENDED TO THE N-TERMINUS OF THE WILD-TYPE SEQUENCE AND ...A 33-RESIDUE HEXAHISTIDINE AFFINITY TAG IS APPENDED TO THE N-TERMINUS OF THE WILD-TYPE SEQUENCE AND IS DERIVED FROM THE PET151 EXPRESSION VECTOR
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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: 2.26 Å3/Da / Density % sol: 45.6 % / Description: NONE
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.25 Details: CRYSTALLISED FROM APPROXIMATELY 20% PEG3350, 100 MM AMMONIUM CITRATE PH 8.25, 10% GLYCEROL USING THE HANGING DROP VAPOUR DIFFUSION METHOD AT 20 DEG C. 1 MICROLITRE OF PROTEIN AT 10 MG PER ML ...Details: CRYSTALLISED FROM APPROXIMATELY 20% PEG3350, 100 MM AMMONIUM CITRATE PH 8.25, 10% GLYCEROL USING THE HANGING DROP VAPOUR DIFFUSION METHOD AT 20 DEG C. 1 MICROLITRE OF PROTEIN AT 10 MG PER ML IN 12.5 MM HEPES PH 7.5, 25 MM NACL WAS MIXED WITH 1 MICROLITRE OF THE WELL SOLUTION TO GIVE THE FINAL DROP
Resolution: 2.35→60.99 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.941 / SU B: 18.638 / SU ML: 0.211 / Cross valid method: THROUGHOUT / ESU R: 0.413 / ESU R Free: 0.254 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24024
3670
5 %
RANDOM
Rwork
0.1838
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obs
0.1866
69673
99.85 %
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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