Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.5→50 Å / Num. obs: 66566 / % possible obs: 99.7 % / Redundancy: 6.42 % / Net I/σ(I): 17.29
Reflection shell
Resolution: 1.5→1.6 Å / Redundancy: 3.22 % / Mean I/σ(I) obs: 2.71 / % possible all: 98.4
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
PROTEUM PLUS
datareduction
PROTEUM PLUS
datascaling
MOLREP
phasing
Refinement
Resolution: 1.5→50 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.958 / SU B: 1.371 / SU ML: 0.05 / Cross valid method: THROUGHOUT / ESU R: 0.066 / ESU R Free: 0.07 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18641
3327
5 %
RANDOM
Rwork
0.15157
-
-
-
obs
0.1533
63136
99.63 %
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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