Mass: 75158.172 Da / Num. of mol.: 4 / Fragment: ABH-MCF / Mutation: C3351S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vibrio vulnificus (bacteria) / Gene: rtxA1 / Production host: Escherichia coli (E. coli) / References: UniProt: F1CLG9*PLUS
Sequence details
The sequence has been deposited to database with the NCBI accession ID WP_015728045.1. N-termianl M ...The sequence has been deposited to database with the NCBI accession ID WP_015728045.1. N-termianl M is the initial Methionine. Residue C3351S represent mutation.
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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: 2.61 Å3/Da / Density % sol: 52.8 %
Crystal grow
Temperature: 277 K / Method: vapor diffusion, sitting drop / Details: 22% PEG 4000, 0.1M Tris-HCl (pH 8.5), 0.2M Li2SO4
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Data collection
Diffraction
Mean temperature: 100 K / Serial crystal experiment: N
Resolution: 3.5→49.6 Å / Cor.coef. Fo:Fc: 0.785 / Cor.coef. Fo:Fc free: 0.752 / SU B: 49.181 / SU ML: 0.746 / Cross valid method: THROUGHOUT / ESU R Free: 0.978 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.3274
1514
4.8 %
RANDOM
Rwork
0.28503
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obs
0.28706
29984
77.5 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å