- PDB-7xkg: Crystal structure of an intramolecular mesacyl-CoA transferase fr... -
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Basic information
Entry
Database: PDB / ID: 7xkg
Title
Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii
Components
Acyl-CoA transferase/carnitine dehydratase-like protein
Keywords
TRANSFERASE
Function / homology
Mesaconyl-CoA isomerase / CoA-transferase family III domain 3 superfamily / CoA-transferase family III / CoA-transferase family III domain 1 superfamily / CoA-transferase family III / transferase activity / Acyl-CoA transferase/carnitine dehydratase-like protein
Function and homology information
Biological species
Roseiflexus castenholzii DSM 13941 (bacteria)
Method
X-RAY DIFFRACTION / SYNCHROTRON / AB INITIO PHASING / Resolution: 2.5 Å
A: Acyl-CoA transferase/carnitine dehydratase-like protein B: Acyl-CoA transferase/carnitine dehydratase-like protein C: Acyl-CoA transferase/carnitine dehydratase-like protein D: Acyl-CoA transferase/carnitine dehydratase-like protein E: Acyl-CoA transferase/carnitine dehydratase-like protein F: Acyl-CoA transferase/carnitine dehydratase-like protein
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97892 Å / Relative weight: 1
Reflection
Resolution: 2.5→50 Å / Num. obs: 188922 / % possible obs: 99.7 % / Redundancy: 6.9 % / Biso Wilson estimate: 24.43 Å2 / CC1/2: 0.956 / CC star: 0.989 / Rmerge(I) obs: 0.147 / Rpim(I) all: 0.059 / Rrim(I) all: 0.156 / Net I/σ(I): 15.82
Reflection shell
Resolution: 2.5→2.54 Å / Redundancy: 6.6 % / Mean I/σ(I) obs: 3.95 / Num. unique obs: 9443 / CC1/2: 0.902 / CC star: 0.974 / Rpim(I) all: 0.189 / Rrim(I) all: 0.492 / % possible all: 99.2
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Processing
Software
Name
Version
Classification
PHENIX
1.19.2_4158
refinement
Coot
3.27
modelbuilding
HKL-3000
datascaling
PHASER
phasing
PDB_EXTRACT
dataextraction
HKL-3000
datareduction
Refinement
Method to determine structure: AB INITIO PHASING / Resolution: 2.5→44.42 Å / SU ML: 0.21 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 18.46 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.1919
9367
4.97 %
Rwork
0.1587
178955
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obs
0.1604
188322
99.15 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
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