Resolution: 1.86→1.91 Å / Redundancy: 20.8 % / Rmerge(I) obs: 0.687 / Mean I/σ(I) obs: 5.5 / Num. unique all: 6313 / % possible all: 99.8
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Processing
Software
Name
Version
Classification
xia2
datascaling
PHENIX
modelbuilding
REFMAC
5.7.0032
refinement
XDS
datareduction
XDS
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.86→58.79 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.962 / SU B: 3.72 / SU ML: 0.058 / Cross valid method: THROUGHOUT / ESU R: 0.09 / ESU R Free: 0.092 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19714
4306
5 %
RANDOM
Rwork
0.16787
-
-
-
all
0.1693
81712
-
-
obs
0.1693
81736
99.97 %
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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