Resolution: 1.65→50 Å / Num. obs: 64565 / % possible obs: 100 % / Redundancy: 6.7 % / Rsym value: 0.075 / Net I/σ(I): 20.4
Reflection shell
Resolution: 1.65→1.71 Å / Redundancy: 6.6 % / Mean I/σ(I) obs: 2.23 / Rsym value: 0.485 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
HKL-2000
datareduction
HKL-2000
datascaling
SHELXCD
phasing
Refinement
Method to determine structure: MAD / Resolution: 1.65→29.23 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.962 / SU B: 3.099 / SU ML: 0.057 / Cross valid method: THROUGHOUT / ESU R: 0.084 / ESU R Free: 0.082 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17662
3300
5.1 %
RANDOM
Rwork
0.15162
-
-
-
obs
0.15288
61172
99.68 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å