Fusarinine C esterase SidJ / Protein of unknown function (DUF1749) / Alpha/Beta hydrolase fold / Hydrolases; Acting on ester bonds / hydrolase activity / Fusarinine C esterase sidJ
Function and homology information
Biological species
Aspergillus fumigatus (mold)
Method
X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.85 Å
Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 18, 2016
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.85→45 Å / Num. obs: 53434 / % possible obs: 97.4 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.046 / Net I/σ(I): 11.1
Reflection shell
Resolution: 1.85→1.95 Å / Rmerge(I) obs: 0.501 / Mean I/σ(I) obs: 2.2 / % possible all: 97.6
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
XDS
datareduction
XSCALE
datascaling
SHARP
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.85→15 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.952 / SU B: 10.889 / SU ML: 0.138 / Cross valid method: THROUGHOUT / ESU R: 0.617 / ESU R Free: 0.151 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24347
2666
5 %
RANDOM
Rwork
0.21114
-
-
-
obs
0.21274
50664
97.21 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å