ergosterol biosynthetic process / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding Similarity search - Function
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.92 Å / Relative weight: 1
Reflection
Resolution: 1.8→25.5 Å / Num. obs: 81942 / % possible obs: 99.7 % / Redundancy: 6.1 % / Rmerge(I) obs: 0.051 / Net I/σ(I): 11.4
Reflection shell
Resolution: 1.8→1.83 Å / Redundancy: 5.2 % / Rmerge(I) obs: 0.681 / Mean I/σ(I) obs: 2.6 / % possible all: 99.6
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
XDS
datareduction
xia2
datascaling
Refinement
Resolution: 1.8→25.5 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.947 / SU B: 2.692 / SU ML: 0.083 / Cross valid method: THROUGHOUT / ESU R: 0.126 / ESU R Free: 0.122 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21996
4230
4.9 %
RANDOM
Rwork
0.18076
-
-
-
obs
0.18269
81942
99.37 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å