Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.38→30.12 Å / Num. obs: 41680 / % possible obs: 97.6 % / Redundancy: 2.8 % / Net I/σ(I): 15.54
Reflection shell
Resolution: 1.38→1.42 Å / Rmerge(I) obs: 0.321 / Mean I/σ(I) obs: 2.61
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
XDS
datareduction
XSCALE
datascaling
PHASER
phasing
Refinement
Resolution: 1.38→29.14 Å / Cor.coef. Fo:Fc: 0.979 / Cor.coef. Fo:Fc free: 0.958 / SU B: 2.525 / SU ML: 0.045 / Cross valid method: THROUGHOUT / ESU R: 0.059 / ESU R Free: 0.064 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1978
2084
5 %
RANDOM
Rwork
0.13232
-
-
-
obs
0.13558
39594
97.74 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å