Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.92819 Å / Relative weight: 1
Reflection
Resolution: 1.47→140.06 Å / Num. obs: 254599 / % possible obs: 100 % / Redundancy: 6.7 % / Net I/σ(I): 17.2
Reflection shell
Resolution: 1.47→1.55 Å / Mean I/σ(I) obs: 2.5
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
XDS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 1.47→88.66 Å / Cor.coef. Fo:Fc: 0.978 / Cor.coef. Fo:Fc free: 0.971 / SU B: 2.985 / SU ML: 0.048 / Cross valid method: THROUGHOUT / ESU R: 0.064 / ESU R Free: 0.059 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17434
12794
5 %
RANDOM
Rwork
0.14056
-
-
-
obs
0.14226
241686
99.96 %
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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