Resolution: 1.89→1.99 Å / Redundancy: 6.95 % / Rmerge(I) obs: 1.32 / Mean I/σ(I) obs: 2.09 / Num. unique obs: 7167 / CC1/2: 0.733 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
XDS
datareduction
XSCALE
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.89→43.65 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.932 / SU B: 9.54 / SU ML: 0.137 / Cross valid method: THROUGHOUT / ESU R: 0.165 / ESU R Free: 0.159 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25183
2533
5 %
RANDOM
Rwork
0.19824
-
-
-
obs
0.20091
48102
99.74 %
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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