long-chain-3-hydroxyacyl-CoA dehydrogenase activity / enoyl-CoA hydratase activity / acyltransferase activity, transferring groups other than amino-acyl groups / fatty acid beta-oxidation / NAD+ binding / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / peptidoglycan-based cell wall / plasma membrane / cytosol Similarity search - Function
Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: May 5, 2011
Radiation
Monochromator: SI(III) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.8726 Å / Relative weight: 1
Reflection
Resolution: 2.63→51.07 Å / Num. obs: 103601 / % possible obs: 99.8 % / Redundancy: 4.3 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 8.5
Reflection shell
Resolution: 2.63→2.77 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.7 / Mean I/σ(I) obs: 2.1 / % possible all: 99
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
MOSFLM
datareduction
SCALA
datascaling
Refinement
Method to determine structure: OTHER Starting model: NONE Resolution: 2.63→50 Å / Cor.coef. Fo:Fc: 0.941 / Cor.coef. Fo:Fc free: 0.909 / SU B: 16.777 / SU ML: 0.181 / Cross valid method: THROUGHOUT / ESU R: 0.372 / ESU R Free: 0.255 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. U VALUES WITH TLS ADDED
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22948
5447
5 %
RANDOM
Rwork
0.18585
-
-
-
obs
0.18801
103601
99.94 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK