Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97626 Å / Relative weight: 1
Reflection
Resolution: 2.32→71.43 Å / Num. obs: 40214 / % possible obs: 100 % / Redundancy: 6.6 % / Rmerge(I) obs: 0.08 / Rsym value: 0.087 / Net I/σ(I): 14.8
Reflection shell
Resolution: 2.32→2.38 Å / Redundancy: 6.8 % / Rmerge(I) obs: 0.692 / Mean I/σ(I) obs: 2.8 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
XDS
datareduction
Aimless
datascaling
PHASER
phasing
Refinement
Resolution: 2.32→71.43 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.935 / SU B: 12.383 / SU ML: 0.145 / Cross valid method: THROUGHOUT / ESU R: 0.237 / ESU R Free: 0.203 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.232
1920
4.8 %
RANDOM
Rwork
0.181
-
-
-
obs
0.183
38277
99.9 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å