Resolution: 1.6→1.63 Å / Redundancy: 3.6 % / Num. unique obs: 25808 / CC1/2: 0.472 / % possible all: 95.2
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0238
refinement
iMOSFLM
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.6→58.63 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.961 / SU B: 5.899 / SU ML: 0.085 / Cross valid method: THROUGHOUT / ESU R: 0.097 / ESU R Free: 0.084 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20169
26608
5 %
RANDOM
Rwork
0.15074
-
-
-
obs
0.15328
505114
97.05 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å