Mass: 24.305 Da / Num. of mol.: 5 / Mutation: K39A Source method: isolated from a genetically manipulated source Formula: Mg / Details: K39A mutation plus C-ter 6His tag
Mass: 18.015 Da / Num. of mol.: 25 / Source method: isolated from a natural source / Formula: H2O
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Details
Compound details
SER 481 GLY in chains A, B and C was identified as a GLY from the protein sequence. In the cDNA ...SER 481 GLY in chains A, B and C was identified as a GLY from the protein sequence. In the cDNA sequence, the codon for this residue was AGC SER in three clones while in two others it was GGC GLY. The difference was thought to be due to a mutation occurring during either propagation of the clones in the library or subcloning into M13 vectors. The electron density suggests a Gly in this position.
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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: 3.16 Å3/Da / Density % sol: 61.08 %
Crystal grow
Temperature: 295 K / Method: microbatch Details: Tris.HCl, MgCl2, EDTA, sodium monothiophosphate, ATP NaCl, spermidine, PEG 4000 PH range: 8.2
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.3→46.31 Å / Cor.coef. Fo:Fc: 0.897 / Cor.coef. Fo:Fc free: 0.867 / WRfactor Rfree: 0.2601 / WRfactor Rwork: 0.2303 / FOM work R set: 0.758 / SU B: 35.789 / SU ML: 0.557 / SU Rfree: 0.5772 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.577 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2747
3354
5 %
RANDOM
Rwork
0.2386
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obs
0.2403
63612
95.72 %
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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
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