Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: ASP / Beg label comp-ID: ASP / End auth comp-ID: GLU / End label comp-ID: GLU / Refine code: _ / Auth seq-ID: 35 - 298 / Label seq-ID: 14 - 277
Dom-ID
Auth asym-ID
Label asym-ID
1
A
A
2
B
B
-
Components
-
Protein / Protein/peptide , 2 types, 4 molecules ABCI
#1: Protein
NAD-dependentproteindeacylasesirtuin-5, mitochondrial / Regulatory protein SIR2 homolog 5
Mass: 31495.012 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Danio rerio (zebrafish) / Gene: sirt5, si:ch211-121a2.1 / Production host: Escherichia coli (E. coli) References: UniProt: Q6DHI5, Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds; In linear amides
#2: Protein/peptide
3(R)-(phenylthio)succinyl-CPS1peptide
Mass: 969.112 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
Resolution: 2.98→48.51 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.871 / SU B: 44.548 / SU ML: 0.386 / Cross valid method: THROUGHOUT / ESU R Free: 0.453 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27485
773
5 %
RANDOM
Rwork
0.19785
-
-
-
obs
0.20163
14686
99.77 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK