SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Mass: 58632.172 Da / Num. of mol.: 1 Fragment: ALPHA AMYLASE WITH 2 RESIDUE DELETION, RESIDUES 35-549 Mutation: YES Source method: isolated from a genetically manipulated source Details: DELETION AT 181-182, AND EXTRA PROLINE RESIDUE AT C TERMINUS, PRO513 Source: (gene. exp.) GEOBACILLUS STEAROTHERMOPHILUS (bacteria) Production host: BACILLUS LICHENIFORMIS (bacteria) / References: UniProt: P06279, alpha-amylase
Mass: 18.015 Da / Num. of mol.: 406 / Source method: isolated from a natural source / Formula: H2O
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Details
Sequence details
RESIDUES 181-182 ARE DELETED, ASN193, OR ASN191 WITH DELETION INCLUDED IN NUMBERING, IS MUTATED TO ...RESIDUES 181-182 ARE DELETED, ASN193, OR ASN191 WITH DELETION INCLUDED IN NUMBERING, IS MUTATED TO PHE AND THERE IS AN ADDITIONAL PRO AT 513 (NUMBERING INCLUDING DELETION) GB AAR76031.1
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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: 2.4 Å3/Da / Density % sol: 49 % / Description: NONE
Resolution: 1.9→92.92 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.934 / SU B: 2.957 / SU ML: 0.088 / Cross valid method: THROUGHOUT / ESU R: 0.141 / ESU R Free: 0.132 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 1-3 AND 483-513 ARE DISORDERED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21029
2152
5 %
RANDOM
Rwork
0.16993
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obs
0.17196
40516
99.96 %
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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