Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9795 Å / Relative weight: 1
Reflection
Resolution: 1.67→40 Å / Num. obs: 159409 / % possible obs: 99.7 % / Redundancy: 10 % / CC1/2: 0.998 / Rpim(I) all: 0.043 / Net I/σ(I): 10.7
Reflection shell
Resolution: 1.67→1.7 Å / Redundancy: 10.2 % / Mean I/σ(I) obs: 0.9 / CC1/2: 0.638 / Rpim(I) all: 0.894 / % possible all: 99.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
XDS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 1.67→40 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.957 / SU B: 6.667 / SU ML: 0.105 / Cross valid method: THROUGHOUT / ESU R: 0.111 / ESU R Free: 0.106 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22357
8361
5 %
RANDOM
Rwork
0.19566
-
-
-
obs
0.19705
159409
99.47 %
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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