Mass: 34944.020 Da / Num. of mol.: 6 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) BACILLUS CLAUSII (bacteria) Description: ISOLATED FROM A NOVOZYMES STRAIN OF B. CLAUSII. STRAIN NUMBER AVAILABLE ON REQUEST. Plasmid: PET22B / Production host: ESCHERICHIA COLI BL21 (bacteria) / References: UniProt: D0AB41, subtilisin
Mass: 18.015 Da / Num. of mol.: 20 / Source method: isolated from a natural source / Formula: H2O
Compound details
ENGINEERED RESIDUE IN CHAIN A, SER 250 TO ALA ENGINEERED RESIDUE IN CHAIN B, SER 250 TO ALA ...ENGINEERED RESIDUE IN CHAIN A, SER 250 TO ALA ENGINEERED RESIDUE IN CHAIN B, SER 250 TO ALA ENGINEERED RESIDUE IN CHAIN C, SER 250 TO ALA ENGINEERED RESIDUE IN CHAIN D, SER 250 TO ALA ENGINEERED RESIDUE IN CHAIN E, SER 250 TO ALA ENGINEERED RESIDUE IN CHAIN F, SER 250 TO ALA
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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: 2.12 Å3/Da / Density % sol: 42 % / Description: NONE
Resolution: 2.68→105.57 Å / Cor.coef. Fo:Fc: 0.915 / Cor.coef. Fo:Fc free: 0.836 / SU B: 32.633 / SU ML: 0.288 / Cross valid method: THROUGHOUT / ESU R Free: 0.078 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.252
2484
5.1 %
RANDOM
Rwork
0.166
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obs
0.17
46339
98.8 %
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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