Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97856 Å / Relative weight: 1
Reflection
Resolution: 2.3→132 Å / Num. obs: 47661 / % possible obs: 99.9 % / Redundancy: 7.3 % / Net I/σ(I): 9.8
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0069
refinement
MOSFLM
datareduction
SCALA
datascaling
REFMAC
phasing
Refinement
Resolution: 2.3→75.83 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.938 / SU B: 9.61 / SU ML: 0.208 / Cross valid method: THROUGHOUT / ESU R: 0.271 / ESU R Free: 0.226 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25798
1042
2.2 %
RANDOM
Rwork
0.20191
-
-
-
obs
0.20309
46470
99.82 %
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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: BABINET MODEL WITH MASK