Resolution: 1.79→1.85 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.495 / Mean I/σ(I) obs: 3.6 / % possible all: 97.3
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
v705b
dataprocessing
HKL-2000
v705b
datascaling
PHENIX
1.8.2-1309
phasing
HKL-2000
v705b
datareduction
Refinement
Method to determine structure: SAD / Resolution: 1.79→50 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.939 / SU B: 2.284 / SU ML: 0.072 / Cross valid method: THROUGHOUT / ESU R: 0.121 / ESU R Free: 0.111 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20226
1854
5 %
RANDOM
Rwork
0.17838
-
-
-
obs
0.17959
35225
95.49 %
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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