Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.999 Å / Relative weight: 1
Reflection
Resolution: 2→50 Å / Num. obs: 19166 / % possible obs: 97.5 % / Redundancy: 7.9 % / Net I/σ(I): 21.5
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
HKL-2000
datareduction
HKL-2000
datascaling
HKL-2000
phasing
Refinement
Resolution: 2.1→26.95 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.914 / SU B: 3.284 / SU ML: 0.09 / Cross valid method: THROUGHOUT / ESU R: 0.15 / ESU R Free: 0.149 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22387
832
5 %
RANDOM
Rwork
0.17645
-
-
-
obs
0.17873
15907
98.56 %
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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