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: 0.97933 Å / Relative weight: 1
Reflection
Resolution: 3.08→95.99 Å / Num. obs: 14358 / % possible obs: 91.3 % / Redundancy: 4.5 % / Net I/σ(I): 26.76
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0151
refinement
HKL-2000
dataprocessing
HKL-2000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.1→50.01 Å / Cor.coef. Fo:Fc: 0.909 / Cor.coef. Fo:Fc free: 0.829 / SU B: 27.911 / SU ML: 0.451 / Cross valid method: THROUGHOUT / ESU R Free: 0.551 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.33956
689
5 %
RANDOM
Rwork
0.26193
-
-
-
obs
0.26569
13128
92.18 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK