OXIDOREDUCTASE / MONOOXYGENASE / METAL-BINDING / HEME / IRON
Function / homology
Function and homology information
Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen / sterol metabolic 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: 0.9791 Å / Relative weight: 1
Reflection
Resolution: 2.4→20 Å / Num. obs: 40633 / % possible obs: 95.5 % / Observed criterion σ(I): 3 / Redundancy: 5.2 % / Biso Wilson estimate: 58.1 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 11.6
-
Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
XDS
datareduction
XSCALE
datascaling
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 2.4→19.61 Å / Cor.coef. Fo:Fc: 0.941 / Cor.coef. Fo:Fc free: 0.9 / SU B: 11.165 / SU ML: 0.26 / Cross valid method: THROUGHOUT / ESU R: 0.449 / ESU R Free: 0.315 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.304
2092
5 %
RANDOM
Rwork
0.23
-
-
-
obs
0.234
39760
95.5 %
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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