Resolution: 1.84→50 Å / Num. obs: 68243 / % possible obs: 99.2 % / Observed criterion σ(I): 0 / Redundancy: 7.5 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 30.3
Reflection shell
Resolution: 1.84→1.91 Å / Rmerge(I) obs: 0.41 / Mean I/σ(I) obs: 4.1 / % possible all: 99.5
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0005
refinement
DENZO
datareduction
SCALEPACK
datascaling
SOLVE
phasing
Refinement
Method to determine structure: MAD / Resolution: 1.9→19.68 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.925 / SU B: 2.725 / SU ML: 0.082 / Cross valid method: THROUGHOUT / ESU R: 0.138 / ESU R Free: 0.133 Stereochemistry target values: MAXIMUM LIKELIHOODWITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23
3069
5 %
RANDOM
Rwork
0.191
-
-
-
obs
0.192
57750
100 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK