Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.29→20 Å / Num. obs: 55080 / % possible obs: 99.6 % / Redundancy: 14.2 % / Net I/σ(I): 17.4
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0107
refinement
XDS
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Resolution: 2.4→20 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.943 / SU B: 15.336 / SU ML: 0.182 / Cross valid method: THROUGHOUT / ESU R: 0.484 / ESU R Free: 0.249 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23123
2430
5 %
RANDOM
Rwork
0.2137
-
-
-
obs
0.2146
45744
99.55 %
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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