Resolution: 1.71→1.81 Å / Redundancy: 3.83 % / Rmerge(I) obs: 0.182 / Mean I/σ(I) obs: 5.7 / % possible all: 97.5
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Processing
Software
Name
Version
Classification
CrystalClear
datacollection
MOLREP
phasing
REFMAC
5.7.0029
refinement
CrystalClear
datareduction
CrystalClear
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: Partial structure derived from a lower resolution Se-Met data set Resolution: 1.71→27.76 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.963 / SU B: 1.545 / SU ML: 0.051 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / ESU R: 0.082 / ESU R Free: 0.085 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17414
1894
5 %
RANDOM
Rwork
0.13854
-
-
-
obs
0.1403
35974
99.3 %
-
all
-
35974
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK