oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding Similarity search - Function
Resolution: 3.31→3.42 Å / Redundancy: 4.4 % / Rmerge(I) obs: 0.866 / Mean I/σ(I) obs: 1.51 / Num. unique obs: 1982 / Rpim(I) all: 0.456 / % possible all: 93.2
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
MD2
MD2 diffractometer with LS-CAT software extensions
datacollection
HKL-2000
datareduction
HKL-2000
datascaling
PHASER
phasing
Refinement
Resolution: 3.31→108.83 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.925 / SU B: 71.111 / SU ML: 0.495 / Cross valid method: THROUGHOUT / ESU R Free: 0.65 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24106
1549
7.8 %
RANDOM
Rwork
0.19056
-
-
-
obs
0.1945
18270
91.22 %
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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