Resolution: 1.51→77.174 Å / Num. obs: 124885 / % possible obs: 99.5 % / Redundancy: 5.083 % / Net I/σ(I): 29.2
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-2000
datareduction
HKL-2000
datascaling
SHELXD
phasing
Refinement
Method to determine structure: AB INITIO PHASING / Resolution: 1.51→44 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.962 / SU B: 1.024 / SU ML: 0.039 / Cross valid method: THROUGHOUT / ESU R: 0.06 / ESU R Free: 0.063 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19448
6286
5 %
RANDOM
Rwork
0.16768
-
-
-
obs
0.16903
118596
99.48 %
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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