Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: ASP / Beg label comp-ID: ASP / End auth comp-ID: ASP / End label comp-ID: ASP / Refine code: _ / Auth seq-ID: 24 - 601 / Label seq-ID: 40
Dom-ID
Auth asym-ID
Label asym-ID
1
A
A - C
2
B
B - D
-
Components
#1: Protein
Non-ribosomalpeptidesynthetase
Mass: 58911.902 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces halstedii (bacteria) / Strain: HC34 / Gene: vinN / Plasmid: pCold I / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q76KY2, Ligases; Forming carbon-sulfur bonds; Acid-thiol ligases
Resolution: 2.2→39.63 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.925 / SU B: 15.158 / SU ML: 0.166 / Cross valid method: THROUGHOUT / ESU R: 0.273 / ESU R Free: 0.209 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24289
2176
5.1 %
RANDOM
Rwork
0.20705
-
-
-
obs
0.20886
40879
95.31 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK