Mass: 32658.732 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: 1-HEXANOL PRODUCT IN ACTIVE SITE / Source: (gene. exp.) RHODOBACTERACEAE (bacteria) Description: CATALYSES BREAKDOWN OF HALOGENATED ALKANES TO THEIR CORRESPONDING HYDROGEN HALIDES AND ALCOHOL COMPOUNDS Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): ROSETTA2 References: UniProt: A0A067XG66*PLUS, haloalkane dehalogenase
Resolution: 1.61→26.36 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.965 / SU B: 1.609 / SU ML: 0.056 / Cross valid method: THROUGHOUT / ESU R: 0.086 / ESU R Free: 0.087 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18703
1803
5 %
RANDOM
Rwork
0.15286
-
-
-
obs
0.1546
34350
99.86 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK