Resolution: 2→50 Å / Num. obs: 172867 / % possible obs: 100 % / Redundancy: 14.6 % / Rmerge(I) obs: 0.121 / Net I/σ(I): 25.8
Reflection shell
Resolution: 2→2.03 Å / Redundancy: 14.3 % / Rmerge(I) obs: 0.861 / Mean I/σ(I) obs: 2.8 / Num. unique all: 8557 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2→42.72 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.95 / SU B: 4.04 / SU ML: 0.109 / Cross valid method: THROUGHOUT / ESU R: 0.158 / ESU R Free: 0.14 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20359
8658
5 %
RANDOM
Rwork
0.16842
-
-
-
obs
0.17019
164157
99.62 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å