Mass: 12212.695 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: DISULFIDE BOND BETWEEN CYS 29 AND CYS 31 Source: (gene. exp.) ESCHERICHIA COLI O157\:H7 STR. EC4115 (bacteria) Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: B5YVR5
Resolution: 2→21.62 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.876 / SU B: 13.437 / SU ML: 0.175 / Cross valid method: THROUGHOUT / ESU R: 0.223 / ESU R Free: 0.227 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.32842
339
5 %
RANDOM
Rwork
0.26125
-
-
-
obs
0.2647
6440
100 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK