Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9655 Å / Relative weight: 1
Reflection
Resolution: 2.68→46.87 Å / Num. obs: 23085 / % possible obs: 96.51 % / Redundancy: 1.05 % / CC1/2: 0.875 / CC star: 0.72 / Net I/σ(I): 0.281
Reflection shell
Resolution: 2.68→2.749 Å / Rmerge(I) obs: 0.337 / Num. unique obs: 1685 / % possible all: 95.91
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0352
refinement
DIALS
datascaling
DIALS
datareduction
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.68→46.87 Å / Cor.coef. Fo:Fc: 0.875 / Cor.coef. Fo:Fc free: 0.72 / SU B: 26.271 / SU ML: 0.548 / Cross valid method: THROUGHOUT / ESU R Free: 0.577 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.39465
1165
4.8 %
RANDOM
Rwork
0.27558
-
-
-
obs
0.28101
23085
96.51 %
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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