Resolution: 1.61→1.64 Å / Redundancy: 5.2 % / Rmerge(I) obs: 1.14 / Mean I/σ(I) obs: 1.4 / CC1/2: 0.552 / Rpim(I) all: 0.56 / % possible all: 62.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0238
refinement
xia2
datareduction
Aimless
datascaling
REFMAC
phasing
Refinement
Resolution: 1.75→65.1 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.965 / SU B: 2.078 / SU ML: 0.063 / Cross valid method: THROUGHOUT / ESU R: 0.086 / ESU R Free: 0.084 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.16333
2716
5.1 %
RANDOM
Rwork
0.13636
-
-
-
obs
0.1378
50094
98.94 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å